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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 15/20 | 0.71 |
| ▸ | F2 | P00734 | 4/20 | 0.71 |
| ▸ | KLK1 | P06870 | 4/20 | 0.71 |
| ▸ | TMPRSS15 | P98073 | 12/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8606705 | 0.98 | PRSS1 (0.73) | PRSS1F2KLK1TMPRSS15KDM4E | |
| SCHEMBL8606708 | 0.98 | PRSS1 (0.73) | PRSS1F2KLK1TMPRSS15KDM4E | |
| Acetic Acid SCHEMBL8610126 | 0.95 | PRSS1 (0.73) | PRSS1F2KLK1TMPRSS15KDM4E | |
| SCHEMBL7526740 | 0.93 | PRSS1 (0.76) | PRSS1F2KLK1TMPRSS15KDM4E | |
| SCHEMBL8609297 | 0.93 | PRSS1 (0.76) | PRSS1F2KLK1TMPRSS15KDM4E | |
| Acetic Acid SCHEMBL8982105 | 0.92 | PRSS1 (0.63) | PRSS1F2KLK1TMPRSS15KDM4E | |
| SCHEMBL7621297 | 0.91 | PRSS1 (0.65) | PRSS1F2KLK1TMPRSS15KDM4E | |
| SCHEMBL7621301 | 0.91 | PRSS1 (0.65) | PRSS1F2KLK1TMPRSS15KDM4E | |
| SCHEMBL3241552 | 0.90 | PRSS1 (0.77) | PRSS1F2KLK1TMPRSS15KDM4E | |
| Hydrochloric Acid SCHEMBL8610706 | 0.90 | PRSS1 (0.64) | PRSS1F2KLK1TMPRSS15KDM4E |
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-0656349-B1 | Amidinophenol derivatives having phospholipase A2 inhibitory activity | ONO PHARMACEUTICAL CO (JP) | 1998-04-08 | — | — | EP | disclosed |
| EP-0656349-A1 | Amidinophenol derivatives having phospholipase A2 inhibitory activity | ONO PHARMACEUTICAL CO., LTD. (JP) | 1995-06-07 | — | — | EP | disclosed |