Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMPRSS11D | O60235 | 10/20 | 0.52 |
| ▸ | F2 | P00734 | 5/20 | 0.51 |
| ▸ | CMA1 | P23946 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 2/20 | 0.47 |
| ▸ | PLG | P00747 | 2/20 | 0.47 |
| ▸ | XIAP | P98170 | 2/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8781169 | 0.98 | TMPRSS11D (0.54) | TMPRSS11DF2CMA1F10PLG | |
| SCHEMBL7045852 | 0.87 | F2 (0.55) | F2OPRM1 | |
| Hydrochloric Acid SCHEMBL8781245 | 0.86 | F2 (0.54) | F2OPRM1 | |
| Acetic Acid SCHEMBL8378098 | 0.80 | F2 (0.53) | TMPRSS11DF2F10PLGOPRM1 | |
| Acetic Acid SCHEMBL8378102 | 0.80 | F2 (0.53) | TMPRSS11DF2F10PLGOPRM1 | |
| SCHEMBL7155123 | 0.78 | TMPRSS11D (0.47) | TMPRSS11DF2F10PLGXIAP | |
| SCHEMBL7106028 | 0.78 | TMPRSS11D (0.68) | TMPRSS11DF2F10PLG | |
| SCHEMBL6438372 | 0.78 | ACE (0.58) | — | |
| SCHEMBL6438368 | 0.78 | ACE (0.58) | — | |
| SCHEMBL8378226 | 0.78 | ACE (0.58) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0809651-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996024609-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-15 | — | — | WO | disclosed |