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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 5/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL8563370 | 0.97 | ASIC3 (0.40) | ASIC3HTR6S1PR1F10HRH3 | |
| SCHEMBL8559578 | 0.91 | HTR6 (0.42) | HTR6S1PR1HRH3HDAC1 | |
| Hydrochloric Acid SCHEMBL8566255 | 0.90 | HTR6 (0.41) | HTR6S1PR1HRH3HDAC1 | |
| SCHEMBL8557059 | 0.87 | S1PR1 (0.43) | ASIC3HTR6S1PR1F10ITGB3 | |
| SCHEMBL8564139 | 0.85 | PTGER1 (0.35) | ASIC3HTR6S1PR1F10PLAU | |
| Hydrochloric Acid SCHEMBL8567567 | 0.84 | PTGER1 (0.36) | ASIC3HTR6S1PR1F10PLAU | |
| SCHEMBL8559518 | 0.83 | HRH3 (0.41) | HTR6S1PR1HRH3HDAC1 | |
| Hydrochloric Acid SCHEMBL8564996 | 0.82 | HRH3 (0.40) | HTR6S1PR1HRH3HDAC1 | |
| SCHEMBL8560429 | 0.81 | HTR6 (0.47) | HTR6S1PR1F10ITGB3ITGA2B | |
| SCHEMBL8896083 | 0.81 | ASIC3 (0.34) | ASIC3HTR6F10HRH3ITGB3 |
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 |