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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
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 SCHEMBL11081190 | 0.86 | CYP1A2 (0.54) | CYP3A4NR3C1L3MBTL1MAPTMEN1 | |
| Acetic Acid SCHEMBL11085954 | 0.84 | CYP3A4 (0.57) | CYP3A4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL11022900 | 0.82 | DEGS1 (0.55) | MAOBL3MBTL1MAPTNPC1RAB9A | |
| SCHEMBL11077482 | 0.82 | CYP3A4 (0.53) | CYP3A4HTR2CHTR2BMAOBHIF1A | |
| SCHEMBL7311449 | 0.80 | CYP1A2 (0.55) | CYP3A4MAOBHIF1ANR3C1MAPT | |
| Ammonia Solution, Strong SCHEMBL11078541 | 0.80 | DEGS1 (0.52) | MAOBL3MBTL1MAPTNPC1RAB9A | |
| SCHEMBL11030464 | 0.80 | CYP3A4 (0.58) | CYP3A4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL14440319 | 0.80 | L3MBTL1 (0.43) | CYP3A4L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL14440028 | 0.80 | KDR (0.46) | CYP3A4L3MBTL1MAPTMEN1KMT2A | |
| Acetic Acid SCHEMBL11086775 | 0.79 | MEN1 (0.64) | CYP3A4NR3C1ALDH1A1L3MBTL1MAPT |
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-4450167-A | TRANQUILIZERS; PSYCHOLOGICAL DISORDERS | ROUSSEL UCLAF (FR) | 1984-05-22 | — | — | US | disclosed |