Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.70 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.70 |
| ▸ | HPGD | P15428 | 2/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.70 |
| ▸ | THRB | P10828 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | KCNC1 | P48547 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Visnagin SCHEMBL498450 | 0.82 | ADORA3 (1.00) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| Visnagin SCHEMBL31670263 | 0.82 | ADORA3 (1.00) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| SCHEMBL9157270 | 0.82 | ADORA3 (0.78) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| SCHEMBL9164017 | 0.81 | ADORA3 (0.77) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| SCHEMBL9160425 | 0.78 | ADORA3 (0.74) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| SCHEMBL30105577 | 0.78 | ADORA3 (0.68) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| Pinnatin SCHEMBL21828759 | 0.77 | CYP3A4 (0.67) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| SCHEMBL3975535 | 0.76 | ADORA3 (0.66) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| SCHEMBL10922801 | 0.73 | ADORA3 (0.61) | ADORA3CYP3A4CYP1A1HPGDMAPK1 | |
| SCHEMBL31060956 | 0.71 | ADORA3 (1.00) | ADORA3CYP3A4CYP1A1HPGDMAPK1 |
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-2311806-A2 | Dihydropyridine-, pyridine-, benzopyranone- 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) | 2011-04-20 | — | — | EP | disclosed |
| EP-2311806-A2 | Dihydropyridine-, pyridine-, benzopyranone- 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) | 2011-04-20 | — | — | EP | disclosed |
| US-6066642-A | FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-05-23 | — | — | US | disclosed |