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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 17/20 | 0.61 |
| ▸ | ITGAV | P06756 | 17/20 | 0.61 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5879659 | 0.90 | ITGB3 (0.66) | ITGB3ITGAVGRIN2BHSD17B10ITGA2B | |
| SCHEMBL5879595 | 0.87 | ITGB3 (0.64) | ITGB3ITGAVITGA2B | |
| SCHEMBL5879590 | 0.79 | ITGB3 (0.54) | ITGB3ITGAVHSD17B10ALDH1A1 | |
| SCHEMBL5879963 | 0.77 | ITGB3 (0.90) | ITGB3ITGAV | |
| SCHEMBL5879524 | 0.76 | ITGB3 (1.00) | ITGB3ITGAV | |
| SCHEMBL5879712 | 0.74 | KMT2A (0.55) | ITGB3ITGAVHSD17B10 | |
| SCHEMBL5879692 | 0.74 | NOS2 (0.48) | ITGB3ITGAVHSD17B10ALDH1A1 | |
| SCHEMBL5879653 | 0.74 | ITGB3 (0.46) | ITGB3ITGAVHSD17B10ALDH1A1 | |
| SCHEMBL5879871 | 0.73 | ALDH1A1 (0.50) | ITGB3ITGAVALDH1A1 | |
| SCHEMBL5879626 | 0.73 | ITGB3 (0.48) | ITGB3ITGAV |
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-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |