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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.70 |
| ▸ | ITGA2B | P08514 | 19/20 | 0.70 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.39 |
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 SCHEMBL9318257 | 0.92 | ITGB3 (0.62) | ITGB3ITGA2BPRMT5WDR77ITGA2 | |
| Acetic Acid SCHEMBL8837005 | 0.91 | ITGB3 (0.68) | ITGB3ITGA2BITGA2 | |
| Acetic Acid SCHEMBL9317585 | 0.89 | ITGB3 (0.57) | ITGB3ITGA2BPRMT5WDR77 | |
| SCHEMBL7427864 | 0.89 | ITGB3 (0.70) | ITGB3ITGA2BITGA2 | |
| SCHEMBL7358608 | 0.88 | ITGB3 (0.57) | ITGB3ITGA2BPRMT5WDR77 | |
| SCHEMBL9317712 | 0.86 | ITGB3 (0.57) | ITGB3ITGA2BPRMT5WDR77 | |
| Acetic Acid SCHEMBL7334578 | 0.85 | ITGB3 (0.60) | ITGB3ITGA2BITGA2 | |
| SCHEMBL7359659 | 0.83 | ITGB3 (0.74) | ITGB3ITGA2BPRMT5 | |
| SCHEMBL8837187 | 0.83 | ITGB3 (1.00) | ITGB3ITGA2B | |
| Acetic Acid SCHEMBL9319478 | 0.81 | ITGB3 (0.56) | ITGB3ITGA2BPRMT5WDR77ITGA2 |
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-0610334-A1 | NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. | GENENTECH INC (US) | 1994-08-17 | — | — | EP | disclosed |
| WO-1993008174-A1 | NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR | GENENTECH, INC. (US) | 1993-04-29 | — | — | WO | disclosed |