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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.46 |
| ▸ | MEN1 | O00255 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 SCHEMBL8945749 | 1.00 | KMT2A (0.46) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8945961 | 0.95 | KMT2A (0.47) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8945954 | 0.95 | KMT2A (0.47) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8945754 | 0.85 | KMT2A (0.46) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| Acetic Acid SCHEMBL9583560 | 0.83 | MEN1 (0.51) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| Acetic Acid SCHEMBL11109031 | 0.83 | MEN1 (0.51) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8945794 | 0.82 | KMT2A (0.53) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| Acetic Acid SCHEMBL9582625 | 0.81 | MEN1 (0.50) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| Acetic Acid SCHEMBL9582614 | 0.81 | MEN1 (0.50) | KMT2AMEN1RAB9ANPC1SMN1; SMN2 | |
| Acetic Acid SCHEMBL9583114 | 0.78 | PTPN1 (0.54) | KMT2AMEN1RAB9ANPC1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-5510346-A | ANTIDEPRESSANTS, ANTIANXIETY AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | disclosed |