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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
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 SCHEMBL11082252 | 0.84 | PLG (0.51) | MAPTCYP3A4NPC1TP53RAB9A | |
| Acetic Acid SCHEMBL11085954 | 0.84 | CYP3A4 (0.57) | MAPTALDH1A1CYP3A4NPC1RAB9A | |
| SCHEMBL11075368 | 0.84 | MAPT (0.49) | MAPTGRIK1PLA2G2AALDH1A1NR3C1 | |
| SCHEMBL11030464 | 0.81 | CYP3A4 (0.58) | MAPTALDH1A1CYP3A4NPC1RAB9A | |
| Acetic Acid SCHEMBL11081190 | 0.80 | CYP1A2 (0.54) | MAPTNR3C1CYP3A4NPC1RAB9A | |
| SCHEMBL9197678 | 0.78 | CYP3A4 (0.57) | MAPTALDH1A1NR3C1CYP3A4NPC1 | |
| Acetic Acid SCHEMBL11082070 | 0.75 | MAPT (0.59) | MAPTALDH1A1NPC1TP53RAB9A | |
| SCHEMBL11712521 | 0.75 | LMNA (0.54) | MAPTALDH1A1CYP3A4TP53SMN1; SMN2 | |
| SCHEMBL6197287 | 0.74 | SMN1; SMN2 (0.55) | MAPTALDH1A1NR3C1SMN1; SMN2HSP90AA1 | |
| SCHEMBL7311449 | 0.74 | CYP1A2 (0.55) | MAPTP2RX1NR3C1CYP3A4MEN1 |
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 |