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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKN1 | Q16512 | 2/20 | 0.69 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.69 |
| ▸ | PARP1 | P09874 | 9/20 | 0.68 |
| ▸ | DHODH | Q02127 | 10/20 | 0.54 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL7313257 | 0.97 | PKN1 (0.74) | PKN1PKN2PARP1DHODHPLA2G2A | |
| SCHEMBL8624640 | 0.85 | PARP1 (0.73) | PKN1PKN2PARP1DHODHPLA2G2A | |
| Acetic Acid SCHEMBL7318987 | 0.85 | PARP1 (0.72) | PKN1PKN2PARP1DHODHPLA2G2A | |
| SCHEMBL505325 | 0.85 | PKN1 (0.77) | PKN1PKN2PARP1DHODHPLA2G2A | |
| SCHEMBL3921478 | 0.85 | PARP1 (0.79) | PARP1DHODHPARP2 | |
| SCHEMBL7322715 | 0.84 | PKN1 (0.81) | PKN1PKN2PARP1DHODHPLA2G2A | |
| SCHEMBL10211815 | 0.83 | PARP1 (0.77) | PARP1DHODHPARP2 | |
| SCHEMBL25220279 | 0.82 | PKN1 (1.00) | PKN1PKN2PARP1DHODHPLA2G2A | |
| SCHEMBL30440938 | 0.82 | PKN1 (1.00) | PKN1PKN2PARP1DHODHPLA2G2A | |
| SCHEMBL29087633 | 0.82 | PKN1 (0.77) | PKN1PKN2PARP1DHODHPLA2G2A |
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-0841924-B1 | BENZIMIDAZOLE COMPOUNDS | UNIV NEWCASTLE VENTURES LTD (GB) | 2002-10-02 | — | — | EP | disclosed |
| US-6310082-B1 | PHARMACEUTICAL COMPOSITION COMPRISING EFFECTIVE POLY(ADP-RIBOSE)POLYMERASE ENZYME INHIBITING AMOUNT OF BENZIMIDAZOLE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT AND/OR PRO-DRUG FORM THEREOF, WITH ACCEPTABLE CARRIER | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 2001-10-30 | — | — | US | disclosed |
| US-6100283-A | PRODRUG PHOSPHATE DERIVATIVE FOR POLY (ADP-RIBOSE) POLYMERASE ENZYME INHIBITOR FOR ADMINISTERING IN CONJUNCTION WITH ANTITUMOR DRUG OR RADIOTHERAPY | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 2000-08-08 | — | — | US | disclosed |
| EP-0841924-A1 | BENZIMIDAZOLE COMPOUNDS | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997004771-A1 | BENZIMIDAZOLE COMPOUNDS | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 1997-02-13 | — | — | WO | disclosed |