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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.49 |
| ▸ | ADH1B | P00325 | 3/20 | 0.49 |
| ▸ | ADH1A | P07327 | 3/20 | 0.49 |
| ▸ | ADH7 | P40394 | 3/20 | 0.49 |
| ▸ | ADH1C | P00326 | 2/20 | 0.49 |
| ▸ | ADH4 | P08319 | 1/20 | 0.49 |
| ▸ | KDM5A | P29375 | 4/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.41 |
| ▸ | ICMT | O60725 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27415467 | 0.94 | EPHX1 (0.55) | EPHX1ADH1BADH1AADH7ADH1C | |
| SCHEMBL27269307 | 0.84 | ADH1A (0.63) | EPHX1ADH1BADH1AADH7ADH1C | |
| SCHEMBL29037600 | 0.84 | ADH1A (0.63) | EPHX1ADH1BADH1AADH7ADH1C | |
| Acetic Acid SCHEMBL6682749 | 0.84 | KDM5A (0.49) | KDM5APHF8KDM4CICMTALB | |
| SCHEMBL10988163 | 0.82 | ADH1A (0.72) | EPHX1ADH1BADH1AADH7ADH1C | |
| Acetic Acid SCHEMBL11801935 | 0.82 | KDM5A (0.47) | KDM5APHF8KDM4CICMTALB | |
| SCHEMBL2173059 | 0.79 | ADH1A (0.61) | EPHX1ADH1BADH1AADH7ADH1C | |
| SCHEMBL1628809 | 0.79 | ALDH1A1 (0.52) | EPHX1ADH1BADH1AADH7ADH1C | |
| SCHEMBL7021948 | 0.79 | KDM5A (0.50) | KDM5APHF8KDM4CICMTALB | |
| SCHEMBL5257037 | 0.79 | ADH1B (0.60) | EPHX1ADH1BADH1AADH7ADH1C |
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-1087334-A | A kind of new type amphoteric surfactant and synthetic method thereof | UNIV XIBEI (CN) | 1994-06-01 | — | — | CN | claimed |