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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.75 |
| ▸ | ITGA2B | P08514 | 19/20 | 0.75 |
| ▸ | F10 | P00742 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.43 |
| ▸ | FPR1 | P21462 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL7413110 | 0.97 | ITGB3 (0.75) | ITGB3ITGA2BFPR1FPR2 | |
| SCHEMBL7075515 | 0.97 | ITGB3 (0.75) | ITGB3ITGA2BFPR1FPR2 | |
| Acetic Acid SCHEMBL9095776 | 0.94 | ITGB3 (0.69) | ITGB3ITGA2BF10PRSS1PRSS2 | |
| Trifluoroacetic Acid SCHEMBL7411796 | 0.91 | ITGB3 (0.68) | ITGB3ITGA2BFPR1FPR2 | |
| Trifluoroacetic Acid SCHEMBL7448806 | 0.91 | ITGB3 (0.68) | ITGB3ITGA2BFPR1FPR2 | |
| Orbofiban SCHEMBL7417473 | 0.89 | ITGB3 (0.95) | ITGB3ITGA2BF10PRSS1PRSS2 | |
| Acetic Acid SCHEMBL8109437 | 0.88 | ITGB3 (0.75) | ITGB3ITGA2BF10PRSS1PRSS2 | |
| Orbofiban SCHEMBL871101 | 0.88 | ITGB3 (0.93) | ITGB3ITGA2BF10PRSS1PRSS2 | |
| SCHEMBL7451885 | 0.88 | ITGB3 (0.84) | ITGB3ITGA2BFPR1FPR2 | |
| SCHEMBL7418344 | 0.87 | ITGB3 (0.80) | ITGB3ITGA2BF10PRSS1PRSS2 |
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 |