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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 2/20 | 0.42 |
| ▸ | ADH1C | P00326 | 2/20 | 0.42 |
| ▸ | ADH1A | P07327 | 2/20 | 0.42 |
| ▸ | ADH7 | P40394 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | ADH4 | P08319 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.33 |
| ▸ | PPARG | P37231 | 6/20 | 0.33 |
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 SCHEMBL10405011 | 1.00 | ADH1B (0.42) | ADH1BADH1CADH1AADH7ALOX15 | |
| SCHEMBL3060455 | 0.88 | ADH1B (0.46) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL905748 | 0.88 | ADH1B (0.46) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL29253567 | 0.82 | ADH1B (0.44) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL15806820 | 0.80 | EPHX1 (0.46) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL15836182 | 0.79 | ALDH1A1 (0.35) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL3633357 | 0.78 | HTT (0.38) | TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL170579 | 0.78 | EPHX1 (0.48) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL170578 | 0.78 | EPHX1 (0.48) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL15833496 | 0.73 | — | — |
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-4960936-A | Process for the preparation of halogenated aromatic primary amines | CIBA-GEIGY CORPORATION (US) | 1990-10-02 | — | — | US | disclosed |