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 | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 19/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 19/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 18/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 17/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7455750 | 0.97 | ADORA3 (0.54) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL7224896 | 0.91 | ADORA3 (0.44) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL7224891 | 0.91 | ADORA3 (0.44) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL7457645 | 0.89 | PGK1 (0.46) | ADORA3ADORA2AADORA1ADORA2B | |
| Acetic Acid SCHEMBL7231454 | 0.89 | ADORA3 (0.52) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL7455077 | 0.89 | PGK1 (0.57) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL5086058 | 0.89 | PGK1 (0.45) | ADORA3ADORA2AADORA1ADORA2B | |
| Hydrochloric Acid SCHEMBL7223291 | 0.88 | PGK1 (0.57) | ADORA3ADORA2AADORA1ADORA2B | |
| Formic Acid SCHEMBL7224022 | 0.88 | PGK1 (0.44) | ADORA3ADORA2AADORA1ADORA2B | |
| Formic Acid SCHEMBL7226417 | 0.87 | ADORA2A (0.42) | ADORA3ADORA2AADORA1ADORA2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6528494-B2 | Antiinflammatory agents | COX BRIAN (GB) | 2003-03-04 | — | — | US | disclosed |
| EP-0948509-B1 | 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES | GLAXO GROUP LTD (GB) | 2002-10-16 | — | — | EP | disclosed |
| US-6426337-B1 | ANTIINFLAMMATORY AGENTS | SMITHKLINE BEECHAM CORPORATION | 2002-07-30 | — | — | US | disclosed |
| US-20020086850-A1 | 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives | COX BRIAN (GB) | 2002-07-04 | — | — | US | disclosed |
| EP-0948509-A1 | 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998028319-A1 | 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1998-07-02 | — | — | WO | 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-20020086850-A1 | 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives | PURB, P2RX3, P2RY2 | ADORA3 182/4885ADORA2A 202/4885ADORA1 135/4885 |
“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.