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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 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 | |
|---|---|---|---|---|
| SCHEMBL28492568 | 0.91 | CYP3A4 (0.46) | PTGS2ACP3CYP3A4CYP17A1 | |
| SCHEMBL8591948 | 0.79 | ACP3 (0.48) | PTGS2ACP3FFAR1CYP3A4 | |
| Acetic Acid SCHEMBL7649086 | 0.78 | MEN1 (0.57) | MAPTSMN1; SMN2HPGDCYP3A4 | |
| SCHEMBL13090620 | 0.78 | TSHR (0.43) | HPGD | |
| SCHEMBL3893413 | 0.78 | TSHR (0.43) | HPGD | |
| SCHEMBL96576 | 0.78 | TSHR (0.43) | HPGD | |
| Benzene SCHEMBL28196864 | 0.78 | TSHR (0.43) | HPGD | |
| SCHEMBL28306595 | 0.78 | TSHR (0.43) | HPGD | |
| Ammonia Solution, Strong SCHEMBL5430573 | 0.76 | TSHR (0.42) | HPGD | |
| SCHEMBL11051386 | 0.76 | HPGD (0.42) | MAPTHPGDCYP3A4 |
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-0513587-A1 | Process for preparing 3-alkeny-lidene-1, 1-bisphosphonates | E.R. SQUIBB & SONS, INC. (US) | 1992-11-19 | — | — | EP | disclosed |
| US-5103036-A | Catalyzed coupling of allyl ester with methylenebisphosphonate | E. R. SQUIBB & SONS, INC. (US) | 1992-04-07 | — | — | US | disclosed |