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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.46 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | FBP1 | P09467 | 9/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6832061 | 0.98 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| SCHEMBL136546 | 0.98 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| SCHEMBL6829966 | 0.98 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| SCHEMBL29473347 | 0.98 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| SCHEMBL6832056 | 0.96 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| Hydrochloric Acid SCHEMBL942861 | 0.96 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| SCHEMBL6916362 | 0.96 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| SCHEMBL6917010 | 0.96 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| SCHEMBL6913379 | 0.96 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10TDP1KMT2A | |
| SCHEMBL8714314 | 0.96 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10TDP1KMT2A |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2289848-B1 | Therapeutic malonic acid/acetic acid C60 tri-adducts of Buckminsterfullerene and methods related to thereto | UNIV WASHINGTON (US) | 2020-02-19 | — | — | EP | disclosed |
| EP-1597199-B1 | THERAPEUTIC MALONIC ACID/ACETIC ACID C60 TRI-ADDUCTS OF BUCKMINSTERFULLERENE AND METHODS RELATED THERETO | THE WASHINGTON UNIV IN SAINT LOUIS (US) | 2017-11-15 | — | — | EP | disclosed |
| EP-2637746-B1 | LEAVE-ON NON-SOLID SKIN CONDITIONING COMPOSITIONS CONTAINING 12-[(12-HYDROXYOCTADECANOYL)OXY]OCTADECANOIC ACID | UNILEVER PLC (GB) | 2016-11-30 | — | — | EP | disclosed |
| EP-2884982-A2 | SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014031438-A2 | SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-02-27 | — | — | WO | disclosed |
| EP-2637746-A2 | LEAVE-ON NON-SOLID SKIN CONDITIONING COMPOSITIONS CONTAINING 12-[(12-HYDROXYOCTADECANOYL)OXY]OCTADECANOIC ACID | Unilever PLC (GB) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012062554-A2 | LEAVE-ON NON-SOLID SKIN CONDITIONING COMPOSITIONS CONTAINING 12-[(12-HYDROXYOCTADECANOYL)OXY] OCTADECANOIC ACID | UNILEVER PLC (GB) | 2012-05-18 | — | — | WO | disclosed |
| US-20120122936-A1 | LEAVE-ON NONSOLID SKIN CONDITIONING COMPOSITIONS CONTAINING 12-[(12-HYDROXYOCTADECANOYL)OXY] OCTADECANOIC ACID | CONOPCO, INC., D/B/A UNILEVER (US) | 2012-05-17 | — | — | US | disclosed |
| EP-2289848-A2 | Therapeutic malonic acid/acetic acid C60 tri-adducts of Buckminsterfullerene and methods related to thereto | Washington University (US) | 2011-03-02 | — | — | EP | disclosed |
| US-7511075-B2 | Therapeutic malonic acid/acetic acid C60 tri-adducts of buckminsterfullerene and methods related thereto | WASHINGTON UNIVERSITY (US) | 2009-03-31 | — | — | US | disclosed |
| EP-1572670-A1 | 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-14 | — | — | EP | disclosed |
| US-20050107473-A1 | Process for producing tert-leucine | AJINOMOTO CO. INC (JP) | 2005-05-19 | — | — | US | disclosed |
| EP-1498410-A1 | PROCESS FOR PRODUCING TERT-LEUCINE | Ajinomoto Co., Inc. (JP) | 2005-01-19 | — | — | EP | disclosed |
| WO-2004076349-A1 | THERAPEUTIC MALONIC ACID/ACETIC ACID C60 TRI-ADDUCTS OF BUCKMINSTERFULLERENE AND METHODS RELATED THERETO | WASHINGTON UNIVERSITY (US) | 2004-09-10 | — | — | WO | disclosed |
| WO-2004052869-A1 | 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-24 | — | — | WO | disclosed |
| EP-1392690-A2 | NOVEL PROCESSES FOR THE PREPARATION OF ADENOSINE COMPOUNDS AND INTERMEDIATES THERETO | Aventis Pharma Deutschland GmbH (DE) | 2004-03-03 | — | — | EP | disclosed |
| US-20040034100-A1 | Therapeutic malonic acid/acetic acid C60 tri-adducts of buckminsterfullerene and methods related thereto | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-02-19 | — | — | US | disclosed |
| WO-2002091988-A2 | NOVEL PROCESSES FOR THE PREPARATION OF ADENOSINE COMPOUNDS AND INTERMEDIATES THERETO | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-11-21 | — | — | WO | disclosed |
| EP-1165613-A1 | MELANOCORTIN RECEPTOR LIGANDS | THE PROCTER & GAMBLE COMPANY (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000058361-A1 | MELANOCORTIN RECEPTOR LIGANDS | THE PROCTER & GAMBLE COMPANY (US) | 2000-10-05 | — | — | WO | 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 (3 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-20040034100-A1 | Therapeutic malonic acid/acetic acid C60 tri-adducts of buckminsterfullerene and methods related thereto | ME1, ME2, CA1 | MEN1 478/4885ACHE 41/4885HTR2A 3217/4885 |
| US-20050107473-A1 | Process for producing tert-leucine | TERT, LRRK2, BCAT1 | MEN1 3657/4885ACHE 2631/4885HTR2A 3728/4885 |
| US-20120122936-A1 | LEAVE-ON NONSOLID SKIN CONDITIONING COMPOSITIONS CONTAINING 12-[(12-HYDROXYOCTADECANOYL)OXY] OCTADECANOIC ACID | ALOX12, ALOX15, ALOX15B | MEN1 4862/4885ACHE 4375/4885HTR2A 342/4885 |
“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.