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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.54 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16984472 | 0.98 | KDM4E (0.55) | KDM4EHSP90AA1HSP90AB1PDE10ASMN1; SMN2 | |
| Potassium SCHEMBL30101822 | 0.97 | KDM4E (0.54) | KDM4EHSP90AA1HSP90AB1PDE10ASMN1; SMN2 | |
| SCHEMBL28880719 | 0.84 | NPC1 (0.60) | KDM4EPDE10ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL4414942 | 0.83 | KDM4E (0.55) | KDM4EHSP90AA1HSP90AB1PDE10ASMN1; SMN2 | |
| SCHEMBL28233531 | 0.81 | KDM4E (0.54) | KDM4EHSP90AA1HSP90AB1PDE10ASMN1; SMN2 | |
| SCHEMBL9724282 | 0.81 | KMT2A (0.57) | KDM4EHSP90AA1HSP90AB1PDE10AALDH1A1 | |
| SCHEMBL16974190 | 0.81 | KDM4E (0.54) | KDM4EHSP90AA1HSP90AB1PDE10ASMN1; SMN2 | |
| SCHEMBL9849567 | 0.80 | KDM4E (0.52) | KDM4EPDE10ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL28404746 | 0.79 | KDM4E (0.53) | KDM4EHSP90AA1HSP90AB1PDE10ASMN1; SMN2 | |
| SCHEMBL17646472 | 0.79 | F2 (0.53) | KDM4EHSP90AA1HSP90AB1ALDH1A1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0446604-A2 | Pyridine and related aza heterocycle derivatives as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |