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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | CD38 | P28907 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30554614 | 0.93 | PARP1 (0.47) | PARP1TAS2R14LMNAGAACTSS | |
| SCHEMBL634076 | 0.93 | PARP1 (0.47) | PARP1TAS2R14LMNAGAACTSS | |
| Hydrochloric Acid SCHEMBL7069187 | 0.91 | PARP1 (0.46) | PARP1TAS2R14LMNAGAACTSS | |
| Trifluoroacetic Acid SCHEMBL4002171 | 0.90 | L3MBTL1 (0.43) | PARP1TAS2R14LMNAGAACTSS | |
| Succinic Acid SCHEMBL3925286 | 0.87 | AURKA (0.42) | PARP1TAS2R14LMNAGAACD38 | |
| SCHEMBL28322785 | 0.85 | LMNA (0.46) | PARP1TAS2R14LMNAGAACTSS | |
| Acetic Acid SCHEMBL6202096 | 0.84 | LMNA (0.53) | PARP1TAS2R14LMNAGAACD38 | |
| SCHEMBL2001643 | 0.82 | LMNA (0.46) | TAS2R14LMNAGAACTSSPTGS1 | |
| SCHEMBL27722750 | 0.82 | PARP1 (0.49) | PARP1GAAAURKA | |
| Hydrochloric Acid SCHEMBL3705049 | 0.81 | PARP1 (0.44) | PARP1TAS2R14LMNAGAACTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1636221-A2 | NEW AZETIDINE COMPOUNDS | AstraZeneca AB (SE) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004110344-A2 | NEW AZETIDINE COMPOUNDS | ASTRAZENECA AB (SE) | 2004-12-23 | — | — | WO | disclosed |