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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 16/20 | 0.49 |
| ▸ | TMPRSS15 | P98073 | 12/20 | 0.49 |
| ▸ | F2 | P00734 | 4/20 | 0.49 |
| ▸ | KLK1 | P06870 | 4/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8903078 | 0.98 | PRSS1 (0.49) | PRSS1TMPRSS15F2KLK1ITGB3 | |
| SCHEMBL8846583 | 0.97 | PRSS1 (0.49) | PRSS1TMPRSS15F2KLK1ITGB3 | |
| SCHEMBL3242403 | 0.89 | PRSS1 (0.51) | PRSS1TMPRSS15F2KLK1KDM4E | |
| SCHEMBL3238704 | 0.89 | PRSS1 (0.56) | PRSS1TMPRSS15F2KLK1KDM4E | |
| SCHEMBL3238801 | 0.87 | PRSS1 (0.53) | PRSS1TMPRSS15F2KLK1KDM4E | |
| SCHEMBL3238646 | 0.87 | PRSS1 (0.53) | PRSS1TMPRSS15F2KLK1KDM4E | |
| SCHEMBL3240607 | 0.86 | PRSS1 (0.54) | PRSS1TMPRSS15F2KLK1KDM4E | |
| SCHEMBL3243407 | 0.86 | PRSS1 (0.54) | PRSS1TMPRSS15F2KLK1KDM4E | |
| SCHEMBL3245015 | 0.85 | PRSS1 (0.53) | PRSS1TMPRSS15F2KLK1KDM4E | |
| SCHEMBL3237523 | 0.84 | PRSS1 (0.49) | PRSS1TMPRSS15F2KLK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5622984-A | INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES | ONO PHARMACEUTICAL COMPANY, LIMITED (JP) | 1997-04-22 | — | — | US | disclosed |
| US-5432178-A | Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure | ONO PHARMACEUTICAL CO., LTD. (JP) | 1995-07-11 | — | — | US | disclosed |