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 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL28639118 | 0.91 | TRPA1 (0.42) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| SCHEMBL27958462 | 0.91 | TRPA1 (0.45) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| SCHEMBL30023289 | 0.91 | TRPA1 (0.45) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| SCHEMBL2321816 | 0.91 | TRPA1 (0.45) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| Formaldehyde SCHEMBL27713859 | 0.90 | TRPA1 (0.41) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| SCHEMBL27777553 | 0.90 | TRPA1 (0.43) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| Hydrogen Sulfide SCHEMBL28097887 | 0.90 | TRPA1 (0.43) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| SCHEMBL28781373 | 0.88 | SRD5A1 (0.40) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| Phenol SCHEMBL28097885 | 0.85 | CYP1A2 (0.41) | MTNR1ASRD5A1MEN1KMT2AMAPT | |
| SCHEMBL18929968 | 0.78 | ALDH1A1 (0.50) | MEN1KMT2APOLBTRPA1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100355941-C | Out of tank type electrochemical synthesizing method of p-methoxy phenylacetone | UNIV HUADONG (CN) | 2007-12-19 | — | — | CN | disclosed |
| CN-1710149-A | Out of tank type electrochemical synthesizing method of p-methoxy phenylacetone | UNIV HUADONG (CN) | 2005-12-21 | — | — | CN | disclosed |