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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 18/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.67 |
| ▸ | HTR2C | P28335 | 1/20 | 0.67 |
| ▸ | PPARG | P37231 | 1/20 | 0.67 |
| ▸ | HTR2B | P41595 | 1/20 | 0.67 |
| ▸ | PPARD | Q03181 | 1/20 | 0.67 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL6839834 | 0.91 | ADORA3 (0.68) | ADORA3ADORA1ADORA2AHTR2CPPARG | |
| SCHEMBL6839836 | 0.91 | ADORA3 (0.66) | ADORA3ADORA1ADORA2AHTR2CPPARG | |
| SCHEMBL6839134 | 0.87 | ADORA3 (0.60) | ADORA3ADORA1ADORA2AHTR2CPPARG | |
| Formic Acid SCHEMBL6841731 | 0.85 | ADORA3 (0.56) | ADORA3ADORA1ADORA2AHTR2CPPARG | |
| SCHEMBL4219937 | 0.82 | ADORA3 (0.61) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL6839831 | 0.82 | ADORA3 (0.54) | ADORA3ADORA1ADORA2AHTR2CPPARG | |
| SCHEMBL6839781 | 0.81 | ADORA3 (0.53) | ADORA3ADORA1ADORA2AHTR2CPPARG | |
| SCHEMBL2806951 | 0.81 | ADORA3 (0.53) | ADORA3ADORA1ADORA2AADORA2B | |
| Namodenoson SCHEMBL14518653 | 0.80 | ADORA3 (1.00) | ADORA3ADORA1ADORA2AHTR2CPPARG | |
| Namodenoson SCHEMBL15148066 | 0.80 | ADORA3 (1.00) | ADORA3ADORA1ADORA2AHTR2CPPARG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6762170-B1 | ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL | SMITHKLINEBEECHAM CORPORATION | 2004-07-13 | — | — | US | disclosed |
| EP-1051425-B1 | 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES | GLAXO GROUP LTD (GB) | 2002-10-30 | — | — | EP | disclosed |
| EP-1051425-A2 | 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999038877-A2 | 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-08-05 | — | — | WO | disclosed |