Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.44 |
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.43 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.42 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.41 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | EYA2 | O00167 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14694373 | 0.98 | AKR1B1 (0.52) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| Hydrochloric Acid SCHEMBL2791545 | 0.98 | AKR1B1 (0.52) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| SCHEMBL8966423 | 0.98 | AKR1B1 (0.55) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| SCHEMBL29393657 | 0.98 | AKR1B1 (0.55) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| SCHEMBL453848 | 0.98 | AKR1B1 (0.55) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| Hydrochloric Acid SCHEMBL8719977 | 0.97 | AKR1B1 (0.50) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| SCHEMBL23629774 | 0.97 | AKR1B1 (0.53) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| SCHEMBL1314141 | 0.97 | AKR1B1 (0.53) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| SCHEMBL15864891 | 0.97 | AKR1B1 (0.53) | AKR1B1MEN1KMT2ARECQLTDP1 | |
| SCHEMBL8939988 | 0.97 | AKR1B1 (0.53) | AKR1B1MEN1KMT2ARECQLTDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240207422-A1 | NERVE TARGETING PEPTIDE CONJUGATES AND METHODS OF USE | ALUME BIOSCIENCES INC (US) | 2024-06-27 | — | — | US | disclosed |
| US-20240207421-A1 | NERVE TARGETING PEPTIDES AND METHODS OF USE | ALUME BIOSCIENCES INC (US) | 2024-06-27 | — | — | US | disclosed |
| US-20240124523-A1 | OPTIMIZED PEPTIDES FOR TARGETING HUMAN NERVES AND THEIR USE IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2024-04-18 | — | — | US | disclosed |
| US-20240091387-A1 | METHODS AND SYSTEMS USING PEPTIDES FOR TARGETING AND MAPPING HUMAN NERVES IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY | ALUME BIOSCIENCES INC (US) | 2024-03-21 | — | — | US | disclosed |
| US-11802138-B2 | Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostic and therapeutic delivery | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-10-31 | — | — | US | disclosed |
| WO-2022120177-A1 | NERVE TARGETING PEPTIDES AND METHODS OF USE | ALUME BIOSCIENCES, INC. (US) | 2022-06-09 | — | — | WO | disclosed |
| US-11299515-B2 | Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostics and therapeutic | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-04-12 | — | — | US | disclosed |
| US-11246940-B2 | Peptides whose uptake in cells is controllable | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-02-15 | — | — | US | disclosed |
| US-20210363186-A1 | OPTIMIZED PEPTIDES FOR TARGETING HUMAN NERVES AND THEIR USE IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2021-11-25 | — | — | US | disclosed |
| US-11021517-B2 | Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostics and therapeutic delivery | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-06-01 | — | — | US | disclosed |
| WO-2011008992-A2 | PEPTIDES WHOSE UPTAKE IN CELLS IS CONTROLLABLE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-01-20 | — | — | WO | disclosed |
| WO-2011008996-A2 | PEPTIDES WHOSE UPTAKE IN CELLS IS CONTROLLABLE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-01-20 | — | — | WO | disclosed |
| US-20100316679-A1 | COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-12-16 | — | — | US | disclosed |
| US-20100021416-A1 | CONTROLLED-RELEASE OTIC STRUCTURE MODULATING AND INNATE IMMUNE SYSTEM MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS | OTONOMY, INC. (US) | 2010-01-28 | — | — | US | disclosed |
| WO-2010011605-A2 | CONTROLLED-RELEASE OTIC STRUCTURE MODULATING AND INNATE IMMUNE SYSTEM MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS | OTONOMY, INC. (US) | 2010-01-28 | — | — | WO | disclosed |
| WO-2010008995-A2 | CONTROLLED-RELEASE APOPTOSIS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS | OTONOMY, INC. (US) | 2010-01-21 | — | — | WO | disclosed |
| US-20100016218-A1 | CONTROLLED-RELEASE APOPTOSIS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS | OTONOMY, INC. (US) | 2010-01-21 | — | — | US | disclosed |
| US-20070149466-A1 | Methods and related compositions for treating or preventing obesity, insulin resistance disorders, and mitochondrial-associated disorders | SIRTRIS PHARMACEUTICALS, INC. | 2007-06-28 | — | — | US | disclosed |
| US-20060292099-A1 | Treatment of eye disorders with sirtuin modulators | SIRTRIS PHARMACEUTICALS, INC. | 2006-12-28 | — | — | US | disclosed |
| US-20060276393-A1 | Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders | SIRTRIS PHARMACEUTICALS, INC. (US) | 2006-12-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100016218-A1 | CONTROLLED-RELEASE APOPTOSIS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS | BAX, BCL2, AIFM1 | MEN1 1725/4885ACE 4341/4885CHRM2 4541/4885 |
| US-20100316679-A1 | COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS | FABP4, GPR119, SIRT1 | MEN1 4290/4885ACE 2368/4885CHRM2 3546/4885 |
| US-20100021416-A1 | CONTROLLED-RELEASE OTIC STRUCTURE MODULATING AND INNATE IMMUNE SYSTEM MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS | OTC, TLR3, STING1 | MEN1 1635/4885ACE 2972/4885CHRM2 2128/4885 |
| US-20060276393-A1 | Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders | SIRT2, SIRT1, SIRT3 | MEN1 739/4885ACE 1802/4885CHRM2 3869/4885 |
| US-20060292099-A1 | Treatment of eye disorders with sirtuin modulators | SIRT1, SIRT2, SIRT3 | MEN1 2370/4885ACE 2107/4885CHRM2 2527/4885 |
| US-20070149466-A1 | Methods and related compositions for treating or preventing obesity, insulin resistance disorders, and mitochondrial-associated disorders | SIRT1, SIRT3, SIRT2 | MEN1 3048/4885ACE 2763/4885CHRM2 4697/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.