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 | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8121000 | 0.89 | ATM (0.58) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| SCHEMBL7316248 | 0.79 | THRB (0.47) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| Water SCHEMBL8136187 | 0.77 | CYP1A2 (0.49) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| Water SCHEMBL8120263 | 0.77 | KCNQ2 (0.59) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| Water SCHEMBL8120261 | 0.77 | KCNQ2 (0.59) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| Acetic Acid SCHEMBL27560555 | 0.75 | KCNQ2 (0.67) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| SCHEMBL9261740 | 0.73 | KCNQ2 (0.79) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| SCHEMBL11490783 | 0.73 | KCNQ2 (0.53) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| SCHEMBL9267697 | 0.72 | KCNQ2 (0.57) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 | |
| Hydrochloric Acid SCHEMBL9265822 | 0.72 | KCNQ2 (0.77) | ATMCYP1A2CYP3A4CYP2C9KCNQ2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623132-B1 | DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS | DU PONT PHARM CO (US) | 2000-08-09 | — | — | EP | disclosed |
| US-5698559-A | ADMINISTERING TO TREAT NEUROLOGICAL DYSFUNCTION | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-12-16 | — | — | US | disclosed |
| US-5532249-A | ALZHEIMERS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| EP-0623132-A1 | DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993014092-A1 | DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-07-22 | — | — | WO | disclosed |