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 | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 18/20 | 0.55 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 2/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.42 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8696238 | 0.88 | F2 (0.53) | F2HTR6F10PRSS2 | |
| Acetic Acid SCHEMBL8696214 | 0.87 | F2 (0.57) | F2F10PRSS2CTRC | |
| SCHEMBL8701363 | 0.86 | HTR6 (0.45) | F2HTR6 | |
| Acetic Acid SCHEMBL8694195 | 0.85 | F2 (0.54) | F2HTR6F10PRSS2 | |
| Hydrochloric Acid SCHEMBL8694939 | 0.85 | F2 (0.56) | F2F10PRSS2CTRC | |
| SCHEMBL8697599 | 0.85 | F2 (0.58) | F2HTR6F10PRSS2CTRC | |
| Hydrochloric Acid SCHEMBL8696073 | 0.84 | F2 (0.60) | F2F10PRSS2CTRC | |
| Acetic Acid SCHEMBL8698146 | 0.83 | F2 (0.56) | F2HTR6F10PRSS2CTRC | |
| Hydrochloric Acid SCHEMBL8696195 | 0.83 | F2 (0.58) | F2F10PRSS2CTRC | |
| Hydrochloric Acid SCHEMBL8696323 | 0.82 | F2 (0.49) | F2F10PRSS2CTRC |
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-5792769-A | POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-11 | — | — | US | claimed |
| US-5792769-A | POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-11 | — | — | US | disclosed |