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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 11/20 | 0.80 |
| ▸ | F2 | P00734 | 4/20 | 0.80 |
| ▸ | KLK1 | P06870 | 4/20 | 0.80 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TMPRSS15 | P98073 | 5/20 | 0.39 |
| ▸ | ACR | P10323 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 SCHEMBL7622805 | 1.00 | PRSS1 (0.80) | PRSS1F2KLK1KMT2AMAPT | |
| SCHEMBL7618252 | 0.98 | PRSS1 (0.82) | PRSS1F2KLK1KMT2AMAPT | |
| SCHEMBL7618254 | 0.98 | PRSS1 (0.82) | PRSS1F2KLK1KMT2AMAPT | |
| Acetic Acid SCHEMBL7311943 | 0.91 | PRSS1 (0.96) | PRSS1F2KLK1KMT2AMAPT | |
| Acetic Acid SCHEMBL7312877 | 0.91 | PRSS1 (0.96) | PRSS1F2KLK1KMT2AMAPT | |
| SCHEMBL7311244 | 0.89 | PRSS1 (1.00) | PRSS1F2KLK1KMT2AMAPT | |
| SCHEMBL3245051 | 0.89 | PRSS1 (1.00) | PRSS1F2KLK1KMT2AMAPT | |
| SCHEMBL1650235 | 0.87 | PRSS1 (1.00) | PRSS1F2KLK1KMT2AMAPT | |
| SCHEMBL20008637 | 0.86 | PRSS1 (0.84) | PRSS1F2KLK1KMT2AMAPT | |
| SCHEMBL7623450 | 0.83 | PRSS1 (0.57) | PRSS1F2KLK1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6388122-B1 | ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-05-14 | — | — | US | disclosed |