Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.71 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.54 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CREB1 | P16220 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | POLH | Q9Y253 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1664326 | 0.87 | ADORA3 (0.70) | ADORA3ACE2KCNA3ABCB1PPARG | |
| SCHEMBL10486570 | 0.84 | ADORA3 (0.63) | ADORA3ACE2KCNA3ABCB1PPARG | |
| SCHEMBL1664122 | 0.83 | ADORA3 (1.00) | ADORA3ACE2KCNA3ABCB1PPARG | |
| SCHEMBL30741223 | 0.83 | ADORA3 (1.00) | ADORA3ACE2KCNA3ABCB1PPARG | |
| SCHEMBL4057162 | 0.82 | ADORA3 (0.64) | ADORA3ACE2KCNA3ABCB1PPARG | |
| SCHEMBL6508287 | 0.81 | ADORA3 (0.57) | ADORA3ACE2KCNA3ABCB1PPARG | |
| SCHEMBL7548423 | 0.81 | PPARG (0.63) | ADORA3KCNA3ABCB1PPARGABCG2 | |
| SCHEMBL10486568 | 0.80 | ADORA3 (0.55) | ADORA3ACE2KCNA3ABCB1PPARG | |
| SCHEMBL7549118 | 0.78 | PPARG (0.54) | ADORA3KCNA3PPARGABCG2 | |
| SCHEMBL7554074 | 0.77 | PPARG (0.64) | ADORA3ABCB1PPARGABCG2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885192-B8 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) | 2012-05-16 | — | — | EP | disclosed |
| EP-0885192-A1 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997027177-A2 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN-4-ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-07-31 | — | — | WO | disclosed |