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 | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 14/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 14/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.38 |
| ▸ | F10 | P00742 | 6/20 | 0.37 |
| ▸ | F2 | P00734 | 6/20 | 0.36 |
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 SCHEMBL7656602 | 0.89 | ITGB3 (0.40) | ITGB3ITGA2BPRSS1PRSS2PRSS3 | |
| SCHEMBL7449631 | 0.88 | ITGB3 (0.45) | ITGB3ITGA2BPRSS1PRSS2PRSS3 | |
| SCHEMBL7662938 | 0.88 | ITGB3 (0.41) | ITGB3ITGA2BF2 | |
| SCHEMBL7662931 | 0.88 | ITGB3 (0.41) | ITGB3ITGA2BF2 | |
| Acetic Acid SCHEMBL7662510 | 0.88 | F2 (0.47) | ITGB3ITGA2BPRSS1PRSS2PRSS3 | |
| Acetic Acid SCHEMBL7656489 | 0.86 | ITGB3 (0.40) | ITGB3ITGA2BPRSS1PRSS2PRSS3 | |
| Acetic Acid SCHEMBL7653679 | 0.83 | ITGB3 (0.41) | ITGB3ITGA2BPRSS1PRSS2PRSS3 | |
| Acetic Acid SCHEMBL7698285 | 0.83 | ITGB3 (0.54) | ITGB3ITGA2BPRSS1PRSS2PRSS3 | |
| Acetic Acid SCHEMBL7665575 | 0.82 | ITGB3 (0.38) | ITGB3ITGA2BPRSS1PRSS2PRSS3 | |
| Acetic Acid SCHEMBL7660336 | 0.80 | ITGB3 (0.48) | ITGB3ITGA2BF10F2 |
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-6344456-B1 | ANTICOAGULANTS | LABORATOIRE L. LAFON (FR) | 2002-02-05 | — | — | US | disclosed |