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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 10/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL27256580 | 0.91 | TBXAS1 (0.60) | TBXAS1NAPRTKDM4ECHRNA7TDP1 | |
| SCHEMBL30758759 | 0.89 | — | — | |
| SCHEMBL177933 | 0.89 | — | — | |
| SCHEMBL8526321 | 0.87 | CHRNA7 (0.61) | TBXAS1NAPRTCHRNA7TDP1L3MBTL1 | |
| Acetic Acid SCHEMBL30330124 | 0.86 | TDP1 (0.61) | TBXAS1NAPRTKDM4ECHRNA7TDP1 | |
| Acetic Acid SCHEMBL27915089 | 0.84 | TBXAS1 (0.57) | TBXAS1NAPRTKDM4ECHRNA7TDP1 | |
| Phosphonic Acid SCHEMBL9074693 | 0.84 | CHRNA7 (0.53) | TBXAS1NAPRTKDM4ECHRNA7TDP1 | |
| Acetic Acid SCHEMBL29262862 | 0.81 | NAPRT (0.61) | TBXAS1NAPRTKDM4ETDP1L3MBTL1 | |
| SCHEMBL7799791 | 0.81 | FDPS (0.55) | TBXAS1CHRNA7TDP1L3MBTL1 | |
| Acetic Acid SCHEMBL17273314 | 0.81 | TDP1 (0.81) | TBXAS1NAPRTTDP1L3MBTL1CYP2A6 |
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-0623132-A1 | DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-11-09 | — | — | EP | disclosed |