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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 known ✓ | P05106 | 8/20 | 0.54 |
| ▸ | ITGA2B known ✓ | P08514 | 8/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.57 |
| ▸ | CTSS | P25774 | 3/20 | 0.57 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.53 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 3/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12062829 | 0.99 | CTSL (0.56) | CTSLCTSSITGB3ITGA2BSIRT2 | |
| SCHEMBL8298775 | 0.99 | CTSL (0.56) | CTSLCTSSITGB3ITGA2BSIRT2 | |
| SCHEMBL4726420 | 0.99 | CTSL (0.56) | CTSLCTSSITGB3ITGA2BSIRT2 | |
| SCHEMBL4763048 | 0.94 | CTSL (0.53) | CTSLCTSSITGB3ITGA2BSIRT2 | |
| SCHEMBL7408222 | 0.94 | CTSL (0.53) | CTSLCTSSITGB3ITGA2BSIRT2 | |
| SCHEMBL2236039 | 0.94 | CTSL (0.53) | CTSLCTSSITGB3ITGA2BSIRT2 | |
| SCHEMBL8276699 | 0.91 | SIRT2 (0.55) | CTSLCTSSITGB3ITGA2BSIRT2 | |
| SCHEMBL14346835 | 0.89 | ITGB3 (0.59) | CTSLCTSSITGB3ITGA2BCTSK | |
| SCHEMBL8402651 | 0.89 | ITGB3 (0.59) | CTSLCTSSITGB3ITGA2BCTSK | |
| SCHEMBL11918124 | 0.87 | SIRT2 (0.60) | CTSLCTSSITGB3ITGA2BSIRT2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3681871-A1 | COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY | Azevan Pharmaceuticals, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |
| US-10364236-B2 | Compositions and methods for treating neurodegenerative diseases | AZEVAN PHARMACEUTICALS, INC. (US) | 2019-07-30 | — | — | US | disclosed |
| WO-2019055913-A1 | COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY | AZEVAN PHARMACEUTICALS, INC. (US) | 2019-03-21 | — | — | WO | disclosed |
| US-20180201608-A1 | COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2018-07-19 | — | — | US | disclosed |
| US-20080113959-A1 | {Beta}-Lactamyl vasopression V1a antagonists and methods of use | AZEVAN PHARMACEUTICALS, INC. (US) | 2008-05-15 | — | — | US | disclosed |
| US-20080090797-A1 | {Beta}-Lactamyl vasopression V1a antagonists and methods of use | AZEVAN PHARMACEUTICALS, INC. (US) | 2008-04-17 | — | — | 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 (4 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-20180201608-A1 | COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES | HTT, AVPR2, AVPR1B | ITGB3 4716/4885ITGA2B 4736/4885CTSL 1667/4885 |
| US-20080090797-A1 | {Beta}-Lactamyl vasopression V1a antagonists and methods of use | AVPR1A, AVPR2, AVPR1B | ITGB3 2833/4885ITGA2B 2159/4885CTSL 2379/4885 |
| US-20080113959-A1 | {Beta}-Lactamyl vasopression V1a antagonists and methods of use | AVPR1A, AVPR2, AVPR1B | ITGB3 2833/4885ITGA2B 2159/4885CTSL 2379/4885 |
| US-10364236-B2 | Compositions and methods for treating neurodegenerative diseases | HTT, AVPR2, AVPR1B | ITGB3 4716/4885ITGA2B 4736/4885CTSL 1667/4885 |
“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.