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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 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 SCHEMBL1229251 | 0.94 | GABRA1 (0.34) | CYP3A4CYP2D6CYP2C9GABRA1GABRB1 | |
| Acetic Acid SCHEMBL1228372 | 0.93 | MAPT (0.36) | GABRA1GABRB1GABRA5GABRA3GABRA2 | |
| Acetic Acid SCHEMBL1227664 | 0.91 | MAPT (0.37) | CYP3A4CYP2D6CYP2C9GABRA1GABRB1 | |
| Acetic Acid SCHEMBL1228443 | 0.88 | EGFR (0.36) | CYP3A4CYP2C9MAPTKDM4EALDH1A1 | |
| Acetic Acid SCHEMBL1229715 | 0.87 | TRPA1 (0.37) | CYP3A4CYP2D6CYP2C9GABRA1GABRB1 | |
| Acetic Acid SCHEMBL1229274 | 0.87 | TRPA1 (0.34) | GABRA1GABRB1GABRA5GABRA3GABRA2 | |
| Acetic Acid SCHEMBL1229604 | 0.87 | GABRA1 (0.37) | CYP3A4GABRA1GABRB1GABRA5GABRA3 | |
| Acetic Acid SCHEMBL1229052 | 0.87 | GABRA1 (0.37) | CYP3A4GABRA1GABRB1GABRA5GABRA3 | |
| Acetic Acid SCHEMBL1227478 | 0.87 | KMT2A (0.35) | TRPA1MAPTKDM4EALDH1A1LMNA | |
| Acetic Acid SCHEMBL1227999 | 0.87 | G6PD (0.33) | CYP3A4CYP2D6CYP2C9GABRA1GABRB1 |
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 |