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 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | POLB | P06746 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | RECQL | P46063 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 SCHEMBL1229671 | 0.95 | GPR84 (0.39) | CYP3A4CYP2D6CYP2C9GPR84MAPT | |
| Acetic Acid SCHEMBL1228750 | 0.93 | GPR84 (0.36) | CYP3A4CYP2D6CYP2C9GPR84MAPT | |
| SCHEMBL22763903 | 0.93 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9MAPTKDM4E | |
| Acetic Acid SCHEMBL1229505 | 0.92 | GPR84 (0.35) | CYP3A4CYP2D6CYP2C9GPR84MAPT | |
| Acetic Acid SCHEMBL1228492 | 0.91 | MAPT (0.39) | GPR84MAPTKDM4EALDH1A1POLB | |
| Acetic Acid SCHEMBL1229191 | 0.91 | GPR84 (0.40) | CYP3A4CYP2D6CYP2C9GPR84MAPT | |
| Acetic Acid SCHEMBL1229412 | 0.89 | GPR84 (0.37) | CYP3A4CYP2D6CYP2C9GPR84MAPT | |
| Acetic Acid SCHEMBL1227428 | 0.88 | MAPT (0.40) | CYP3A4CYP2D6CYP2C9GPR84MAPT | |
| Acetic Acid SCHEMBL1227768 | 0.88 | MAPT (0.40) | GPR84MAPTKDM4EALDH1A1POLB | |
| Acetic Acid SCHEMBL1228119 | 0.86 | CA1 (0.36) | GPR84ALDH1A1MEN1KMT2ACA2 |
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 |