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 | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 6/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.53 |
| ▸ | FLT3 | P36888 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 SCHEMBL9228333 | 0.98 | MTNR1A (0.52) | MTNR1AMTNR1BFLT3CYP1A2KDM4E | |
| Acetic Acid SCHEMBL27085298 | 0.91 | MTNR1A (0.51) | MTNR1AMTNR1BFLT3CYP1A2KDM4E | |
| Acetic Acid SCHEMBL9228337 | 0.91 | MTNR1A (0.51) | MTNR1AMTNR1BFLT3CYP1A2CYP2A6 | |
| SCHEMBL5510892 | 0.90 | CYP1A2 (0.59) | MTNR1AMTNR1BFLT3CYP1A2KDM4E | |
| SCHEMBL10458013 | 0.82 | LMNA (0.54) | MTNR1AMTNR1BFLT3CYP1A2KDM4E | |
| Acetic Acid SCHEMBL7099991 | 0.79 | CYP1A2 (0.76) | FLT3CYP1A2KDM4ECYP2A6ALDH1A1 | |
| SCHEMBL2510203 | 0.79 | CDC25B (0.64) | MTNR1AMTNR1BKDM4ECDC25BNPSR1 | |
| SCHEMBL9747620 | 0.79 | MTNR1A (0.55) | MTNR1AMTNR1BCYP1A2KDM4ECYP2A6 | |
| SCHEMBL31613816 | 0.79 | CDC25B (0.64) | MTNR1AMTNR1BKDM4ECDC25BNPSR1 | |
| SCHEMBL23152686 | 0.79 | MTNR1A (0.46) | MTNR1AMTNR1BFLT3CYP1A2IDH1 |
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-6242243-B1 | PURE CULTURE; FOR PRODUCTION OF HYDROLASE ENZYME USEFUL IN EFFICIENT RESOLUTION OF (+)-6-METHOXY-ALPHA-METHYL NAPHTHALENE ACETIC ACID ALKYL ESTERS; PRODUCTION OF NAPROXEN | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2001-06-05 | — | — | US | disclosed |