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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 SCHEMBL1229646 | 0.92 | MTNR1A (0.41) | CA1CA2ALDH1A1MTNR1AMAOB | |
| Acetic Acid SCHEMBL1228999 | 0.90 | CYP3A4 (0.38) | CA1CA2ALDH1A1PTGS2MAOB | |
| Acetic Acid SCHEMBL1229069 | 0.90 | MTNR1A (0.41) | CA1CA2ALDH1A1MTNR1AMAOB | |
| Acetic Acid SCHEMBL1228346 | 0.87 | HIF1A (0.36) | CA1CA2ALDH1A1PTGS2MAOB | |
| Acetic Acid SCHEMBL1228915 | 0.87 | CA1 (0.34) | CA1CA2ALDH1A1PTGS2MAOB | |
| Acetic Acid SCHEMBL1228750 | 0.87 | GPR84 (0.36) | ALDH1A1ESR1ESR2MAOBGPR84 | |
| Acetic Acid SCHEMBL1229493 | 0.86 | CA2 (0.41) | CA1CA2ALDH1A1MAOBMEN1 | |
| Acetic Acid SCHEMBL1229437 | 0.86 | CYP3A4 (0.40) | CA2ALDH1A1GPR84MEN1KMT2A | |
| Acetic Acid SCHEMBL1228905 | 0.86 | ALDH1A1 (0.45) | CA1CA2ALDH1A1MAOBMEN1 | |
| Acetic Acid SCHEMBL1227370 | 0.84 | ALOX5 (0.36) | CA1CA2ALDH1A1MTNR1AMAOB |
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-20110040070-A1 | ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |