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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | F10 | P00742 | 4/20 | 0.35 |
| ▸ | HTR6 | P50406 | 4/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | OGA | O60502 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7472741 | 0.91 | ACHE (0.41) | KHKACHEF10HTR6F2 | |
| Hydrochloric Acid SCHEMBL8559858 | 0.88 | ACHE (0.40) | KHKACHEF10HTR6F2 | |
| Hydrochloric Acid SCHEMBL8566060 | 0.86 | ACHE (0.40) | KHKACHEF10HTR6F2 | |
| SCHEMBL8562707 | 0.85 | F2 (0.35) | KHKF10F2 | |
| SCHEMBL8562703 | 0.85 | F2 (0.35) | KHKF10F2 | |
| Hydrochloric Acid SCHEMBL8561453 | 0.84 | F2 (0.35) | KHKF10F2 | |
| SCHEMBL7468689 | 0.84 | HRH3 (0.40) | KHKF10F2 | |
| SCHEMBL7471860 | 0.83 | ACHE (0.46) | KHKACHEF10HTR6F2 | |
| SCHEMBL7471852 | 0.83 | ACHE (0.46) | KHKACHEF10HTR6F2 | |
| Hydrochloric Acid SCHEMBL8568014 | 0.83 | ACHE (0.40) | KHKACHEF10HTR6F2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5612335-A | ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART | KARL THOMAE GMBH (DE) | 1997-03-18 | — | — | US | disclosed |
| US-5519036-A | IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION | KARL THOMAE GMBH (DE) | 1996-05-21 | — | — | US | disclosed |