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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R known ✓ | P32245 | 3/20 | 0.31 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.31 |
| ▸ | NPEPPS | P55786 | 2/20 | 0.33 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.33 |
| ▸ | PDE9A | O76083 | 4/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ADK | P55263 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | MC5R | P33032 | 3/20 | 0.31 |
| ▸ | MC3R | P41968 | 3/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.30 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.30 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.30 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7821934 | 0.82 | PDE9A (0.33) | NPEPPSPDE9AMC4RMC5RMC3R | |
| Trifluoroacetic Acid SCHEMBL7838986 | 0.81 | SSTR4 (0.33) | PDE9AMC4RMC5RMC3R | |
| SCHEMBL7822940 | 0.81 | CAMK2D (0.38) | NPEPPSPDE9APDE1CCAMK2D | |
| SCHEMBL7812544 | 0.80 | NPEPPS (0.38) | NPEPPSOXER1PDE9APDE1CCAMK2D | |
| SCHEMBL7821885 | 0.78 | NTRK1 (0.39) | NPEPPSPDE9ACAMK2D | |
| SCHEMBL7819968 | 0.78 | KMT2A (0.39) | — | |
| SCHEMBL7826410 | 0.77 | CAMK2D (0.33) | PDE9APDE1CCAMK2D | |
| SCHEMBL7820462 | 0.77 | CAMK2D (0.34) | NPEPPSPDE9AGSK3BPDE1CCAMK2D | |
| Trifluoroacetic Acid SCHEMBL7822064 | 0.77 | HDAC3 (0.35) | PDE9APDE1CCAMK2D | |
| SCHEMBL7819587 | 0.76 | MAPT (0.37) | ESR1 |
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-1095039-A2 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | AstraZeneca AB (SE) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000002877-A2 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2000-01-20 | — | — | WO | disclosed |