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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2069440 | 0.97 | MEN1 (0.40) | MEN1KMT2ATSHRALDH1A1NPC1 | |
| SCHEMBL27763792 | 0.86 | MEN1 (0.38) | MEN1KMT2ATSHRALDH1A1NPC1 | |
| SCHEMBL2035271 | 0.76 | MEN1 (0.40) | MEN1KMT2ATSHRALDH1A1NPC1 | |
| SCHEMBL2069787 | 0.75 | SMN1; SMN2 (0.41) | MEN1KMT2ATSHRALDH1A1NPC1 | |
| SCHEMBL2070017 | 0.73 | USP2 (0.41) | MEN1KMT2ATSHRALDH1A1NPC1 | |
| SCHEMBL1501500 | 0.73 | SMN1; SMN2 (0.43) | MEN1KMT2ATSHRALDH1A1NPC1 | |
| Diethylaniline SCHEMBL11076069 | 0.73 | MEN1 (0.61) | MEN1KMT2ATSHRALDH1A1NPC1 | |
| SCHEMBL11826491 | 0.72 | SCN1A (0.44) | MEN1KMT2ATSHRALDH1A1NPC1 | |
| Acetic Acid SCHEMBL27259327 | 0.71 | TSHR (0.35) | TSHRALDH1A1 | |
| SCHEMBL8076531 | 0.71 | HPGD (0.47) | MEN1KMT2ATSHRALDH1A1NPC1 |
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-101528856-B | Disperse azo dyes | DYSTAR TEXTILFARBEN GMBH & CO | 2013-07-03 | — | — | CN | disclosed |
| CN-101528856-A | Disperse azo dyes | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2009-09-09 | — | — | CN | disclosed |