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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.51 |
| ▸ | DNMT3B | Q9UBC3 | 2/20 | 0.51 |
| ▸ | NT5E | P21589 | 6/20 | 0.50 |
| ▸ | PDE2A | O00408 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | CD99 | P14209 | 1/20 | 0.47 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.47 |
| ▸ | P2RY11 | Q96G91 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7206694 | 0.90 | ADORA3 (0.54) | ADORA3ADORA2AADORA1ADORA2BCA1 | |
| Acetic Acid SCHEMBL7208795 | 0.88 | ADORA3 (0.57) | ADORA3ADORA2AADORA1ADORA2BCA1 | |
| SCHEMBL7206682 | 0.88 | ADORA3 (0.52) | ADORA3ADORA2AADORA1ADORA2BCA1 | |
| SCHEMBL7208805 | 0.80 | ADORA3 (0.51) | ADORA3ADORA2AADORA1ADORA2BCA1 | |
| SCHEMBL6576770 | 0.80 | ADORA3 (0.65) | ADORA3ADORA2AADORA1ADORA2BCA1 | |
| Acetic Acid SCHEMBL4399000 | 0.79 | ADORA3 (0.72) | ADORA3ADORA2AADORA1ADORA2BCA1 | |
| SCHEMBL7205240 | 0.79 | ADORA3 (0.48) | ADORA3ADORA2AADORA1ADORA2BCA1 | |
| SCHEMBL7208800 | 0.78 | ADORA3 (0.49) | ADORA3ADORA2AADORA1ADORA2BCA1 | |
| SCHEMBL7208804 | 0.78 | ADORA2A (0.65) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL7208637 | 0.78 | ADORA3 (0.57) | ADORA3ADORA2AADORA1ADORA2BNT5E |
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-6610665-B1 | Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease | SMITHKLINE BEECHAM CORPORATION | 2003-08-26 | — | — | US | disclosed |
| EP-1056759-B1 | 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES | GLAXO GROUP LTD (GB) | 2002-09-04 | — | — | EP | disclosed |
| EP-1056759-A1 | 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999041267-A1 | 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-08-19 | — | — | WO | disclosed |