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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 15/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3586469 | 0.75 | — | — | |
| SCHEMBL369390 | 0.72 | — | — | |
| SCHEMBL1178422 | 0.71 | — | — | |
| Bromide SCHEMBL6980570 | 0.71 | FOLH1 (0.45) | FOLH1CYP19A1CYP1A1 | |
| Bromide SCHEMBL6980566 | 0.69 | FOLH1 (0.44) | FOLH1CYP19A1CYP1A1 | |
| SCHEMBL956921 | 0.69 | EGLN3 (0.46) | FOLH1CYP19A1CYP1A1 | |
| SCHEMBL5804564 | 0.69 | FOLH1 (0.44) | FOLH1CYP19A1CYP1A1 | |
| SCHEMBL6395050 | 0.69 | FOLH1 (0.55) | FOLH1CYP19A1CYP1A1 | |
| SCHEMBL612982 | 0.69 | FOLH1 (0.55) | FOLH1CYP19A1CYP1A1 | |
| SCHEMBL14578732 | 0.68 | CYP19A1 (0.42) | FOLH1CYP19A1CYP1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7417063-B2 | Bicyclic heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-08-26 | — | — | US | disclosed |
| EP-1740538-A4 | BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-1740538-A2 | BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005099709-A2 | BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-10-27 | — | — | WO | disclosed |
| US-20050228000-A1 | of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent | BRISTOL-MYERS SQUIBB COMPANY | 2005-10-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050228000-A1 | of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent | F12, F11, F2 | FOLH1 3481/4885CYP19A1 698/4885CYP1A1 879/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.