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 | 8/20 | 0.67 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.56 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.49 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.49 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.49 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1713219 | 0.91 | PDE7A (0.65) | MAPTPDE7APDE7BSLC6A2SLC6A4 | |
| SCHEMBL30338244 | 0.91 | PDE7A (0.65) | MAPTPDE7APDE7BSLC6A2SLC6A4 | |
| SCHEMBL19045039 | 0.84 | TDP1 (0.59) | MAPTPDE7APDE7BSLC6A2SLC6A4 | |
| SCHEMBL9709555 | 0.81 | PDE7A (0.58) | MAPTPDE7APDE7BSLC6A2SLC6A4 | |
| Acetic Acid SCHEMBL4852221 | 0.81 | MAPT (0.50) | MAPTPDE7ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11760310 | 0.81 | PDE7A (0.56) | MAPTPDE7APDE7BSLC6A2SLC6A4 | |
| SCHEMBL9186731 | 0.81 | PDE7A (0.56) | MAPTPDE7APDE7BSLC6A2SLC6A4 | |
| SCHEMBL8881808 | 0.81 | MAPT (0.58) | MAPTPDE7APDE7BSLC6A2SLC6A4 | |
| SCHEMBL8926352 | 0.81 | MAPT (0.56) | MAPTPDE7APDE7BSLC6A2SLC6A4 | |
| SCHEMBL9537086 | 0.80 | MAPT (0.80) | MAPTPDE7APDE7BGAAHTT |
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-6110961-A | USEFUL IN PROPHYLAXIS AND TREATMENT OF MENTAL DISORDERS, SUCH AS DEPRESSION, ANXIETY | KRENITSKY PHARMACEUTICALS, INC. (US) | 2000-08-29 | — | — | US | disclosed |