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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PGK1 | P00558 | 1/20 | 0.43 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30456319 | 0.96 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10KMT2ARAB9A | |
| SCHEMBL21246720 | 0.84 | KCNQ3 (0.37) | KDM4EKMT2ARAB9ANPC1TP53 | |
| SCHEMBL21672318 | 0.82 | PGK1 (0.45) | ALDH1A1KDM4EHSD17B10KMT2ARAB9A | |
| SCHEMBL25604920 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10KMT2ARAB9A | |
| SCHEMBL16441504 | 0.79 | PTK2 (0.41) | ALDH1A1KDM4EHSD17B10KMT2ARAB9A | |
| SCHEMBL18130725 | 0.77 | NPC1 (0.47) | ALDH1A1KDM4EHSD17B10RAB9ANPC1 | |
| SCHEMBL21262226 | 0.76 | ATR (0.44) | CA1CA2CA9 | |
| SCHEMBL21262219 | 0.74 | L3MBTL1 (0.48) | ALDH1A1HSD17B10KMT2ARAB9AHPGD | |
| SCHEMBL26964720 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KMT2ARAB9ANPC1HPGD | |
| SCHEMBL9261109 | 0.73 | KMT2A (0.41) | ALDH1A1KDM4EHSD17B10KMT2AHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102731381-B | The polysubstituted aryl of 6-()-4-aminopyridine formic acid esters and the purposes as herbicide thereof | 美国陶氏益农公司 | 2016-08-17 | — | — | CN | disclosed |