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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6772078 | 0.85 | MAPT (0.46) | L3MBTL1MAPTPOLBKDM4EALDH1A1 | |
| SCHEMBL12113212 | 0.84 | L3MBTL1 (0.45) | L3MBTL1MAPTPOLBKDM4EALDH1A1 | |
| SCHEMBL3586448 | 0.84 | AKR1B1 (0.47) | L3MBTL1MAPTPOLBKDM4EALDH1A1 | |
| SCHEMBL28403320 | 0.79 | OPRK1 (0.47) | L3MBTL1MAPTPOLBKDM4EALDH1A1 | |
| SCHEMBL1313734 | 0.79 | MAPT (0.53) | L3MBTL1MAPTPOLBKDM4EALDH1A1 | |
| Formic Acid SCHEMBL7002306 | 0.77 | MAPT (0.34) | L3MBTL1MAPTPOLBKDM4EALDH1A1 | |
| Nitric Acid SCHEMBL7388296 | 0.76 | MAPT (0.50) | L3MBTL1MAPTPOLBKDM4EALDH1A1 | |
| SCHEMBL7247518 | 0.74 | TP53 (0.44) | L3MBTL1MAPTPOLBALDH1A1GAA | |
| SCHEMBL3378265 | 0.72 | MAPT (0.44) | MAPTPOLBALDH1A1GAAGLA | |
| SCHEMBL7002706 | 0.72 | MAPT (0.42) | MAPTPOLBKDM4EALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6756373-B1 | SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION | PFIZER INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1123296-B1 | PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION | PFIZER LTD (GB) | 2003-09-17 | — | — | EP | disclosed |
| EP-1222190-A1 | 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS | Pfizer Limited (GB) | 2002-07-17 | — | — | EP | disclosed |
| US-6333330-B1 | Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction | PFIZER INC. | 2001-12-25 | — | — | US | disclosed |
| EP-1123296-A1 | PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION | Pfizer Limited (GB) | 2001-08-16 | — | — | EP | disclosed |
| WO-2001027112-A1 | 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS | PFIZER LIMITED (GB) | 2001-04-19 | — | — | WO | disclosed |
| WO-2000024745-A1 | PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION | PFIZER LIMITED (GB) | 2000-05-04 | — | — | WO | disclosed |