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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.54 |
| ▸ | FPR2 | P25090 | 14/20 | 0.41 |
| ▸ | FPR1 | P21462 | 8/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413115 | 0.97 | ITGB3 (0.55) | ITGB3ITGA2BFPR2FPR1HDAC1 | |
| Trifluoroacetic Acid SCHEMBL7411809 | 0.92 | ITGB3 (0.50) | ITGB3ITGA2BFPR2FPR1HDAC1 | |
| Acetic Acid SCHEMBL7417478 | 0.90 | ITGB3 (0.69) | ITGB3ITGA2BFPR2FPR1 | |
| SCHEMBL7446276 | 0.87 | ITGB3 (0.52) | ITGB3ITGA2BFPR2FPR1HDAC1 | |
| SCHEMBL7415142 | 0.87 | ITGB3 (0.73) | ITGB3ITGA2BFPR2FPR1HDAC1 | |
| Trifluoroacetic Acid SCHEMBL7411886 | 0.83 | ITGB3 (0.65) | ITGB3ITGA2BFPR2FPR1 | |
| SCHEMBL7455089 | 0.83 | ITGB3 (0.56) | ITGB3ITGA2BFPR2FPR1 | |
| Acetic Acid SCHEMBL9095800 | 0.83 | ITGB3 (0.43) | ITGB3ITGA2BFPR2FPR1HDAC1 | |
| Acetic Acid SCHEMBL7418342 | 0.82 | ITGB3 (0.75) | ITGB3ITGA2BFPR2FPR1 | |
| SCHEMBL7450172 | 0.81 | ITGB3 (0.51) | ITGB3ITGA2BFPR2FPR1 |
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-5484946-A | CYCLIZATION AND DEHYDRATION A METHIONINE DERIVATIVE | G. D. SEARLE & CO. (US) | 1996-01-16 | — | — | US | disclosed |