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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.60 |
| ▸ | MEN1 | O00255 | 5/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3402444 | 0.96 | RAB9A (0.61) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL6523383 | 0.89 | KMT2A (0.62) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL10331452 | 0.88 | RAB9A (0.56) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL25028453 | 0.88 | KMT2A (0.60) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL6524147 | 0.88 | RAB9A (0.56) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL6523393 | 0.87 | RAB9A (0.54) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL10331456 | 0.87 | EPHX2 (0.56) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL28099067 | 0.84 | CYP3A4 (0.51) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL12696170 | 0.82 | RAB9A (0.55) | KMT2AMEN1CYP3A4CYP1A2RAB9A | |
| SCHEMBL1754810 | 0.82 | POLB (0.58) | RAB9ANPC1SMN1; SMN2 |
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-108998438-A | A kind of novel 7-ACA immobilised enzymes and preparation method thereof | 宁波天鲲生物科技有限公司 | 2018-12-14 | — | — | CN | disclosed |
| CN-103502218-B | Compounds and methods for for conjugating biomolecules | 生命科技公司 | 2016-08-17 | — | — | CN | disclosed |