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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.60 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.60 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.60 |
| ▸ | CTSS | P25774 | 6/20 | 0.54 |
| ▸ | CTSK | P43235 | 5/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.53 |
| ▸ | ITGAV | P06756 | 1/20 | 0.53 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 6/20 | 0.52 |
| ▸ | PPARG | P37231 | 5/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.52 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.51 |
| ▸ | PPARD | Q03181 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2729608 | 1.00 | ACE (0.60) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL1108339 | 0.97 | ACE (0.62) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL2730038 | 0.97 | ACE (0.62) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL376103 | 0.97 | ACE (0.62) | ACEITGB3ITGA2BCTSSCTSK | |
| Hydrochloric Acid SCHEMBL27338140 | 0.96 | ACE (0.61) | ACEITGB3ITGA2BCTSSCTSK | |
| Hydrochloric Acid SCHEMBL27338139 | 0.96 | ACE (0.61) | ACEITGB3ITGA2BCTSSCTSK | |
| Acetic Acid SCHEMBL2728774 | 0.90 | KLK5 (0.59) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL7443428 | 0.89 | CTSS (0.57) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL20187263 | 0.87 | CTSS (0.66) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL18228975 | 0.87 | CTSS (0.66) | ACEITGB3ITGA2BCTSSCTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012058325-A1 | COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 | ONCOTHYREON INC. (US) | 2012-05-03 | — | — | WO | disclosed |