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 | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 SCHEMBL1229412 | 0.93 | GPR84 (0.37) | GPR84CYP3A4CYP2D6CYP2C9EGFR | |
| Acetic Acid SCHEMBL1229437 | 0.91 | CYP3A4 (0.40) | GPR84CYP3A4CYP2D6CYP2C9EGFR | |
| Acetic Acid SCHEMBL1229244 | 0.90 | MEN1 (0.36) | GPR84EGFRALDH1A1LMNAKDM4E | |
| Acetic Acid SCHEMBL1228194 | 0.89 | GPR84 (0.37) | GPR84CYP3A4CYP2D6CYP2C9EGFR | |
| Acetic Acid SCHEMBL1228453 | 0.88 | CYP3A4 (0.40) | GPR84CYP3A4CYP2D6CYP2C9EGFR | |
| Acetic Acid SCHEMBL1227618 | 0.88 | HSP90AA1 (0.37) | GPR84EGFRALDH1A1LMNAKDM4E | |
| Acetic Acid SCHEMBL1228750 | 0.87 | GPR84 (0.36) | GPR84CYP3A4CYP2D6CYP2C9EGFR | |
| Acetic Acid SCHEMBL1229861 | 0.86 | GPR84 (0.41) | GPR84CYP3A4EGFRALDH1A1NPC1 | |
| Acetic Acid SCHEMBL1229204 | 0.86 | GPR84 (0.41) | GPR84CYP3A4EGFRALDH1A1NPC1 | |
| Acetic Acid SCHEMBL1229671 | 0.86 | GPR84 (0.39) | GPR84CYP3A4CYP2D6CYP2C9ALDH1A1 |
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 |