Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 3/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | CASP7 | P55210 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7159081 | 0.88 | TSHR (0.70) | MAPTMAPK1ALDH1A1GAANPSR1 | |
| SCHEMBL1664685 | 0.88 | ADORA3 (0.71) | MAPTALDH1A1GAASMN1; SMN2TSHR | |
| SCHEMBL9765796 | 0.86 | CACNA1B (0.73) | MAPTMAPK1ALDH1A1GAANPSR1 | |
| SCHEMBL11868720 | 0.84 | TSHR (0.65) | MAPTMAPK1ALDH1A1GAANPSR1 | |
| SCHEMBL11877364 | 0.84 | TSHR (0.65) | MAPTMAPK1ALDH1A1GAANPSR1 | |
| SCHEMBL7161996 | 0.84 | ADORA3 (0.73) | MAPTMAPK1ALDH1A1GAANPSR1 | |
| SCHEMBL11521974 | 0.82 | TSHR (0.62) | MAPTMAPK1ALDH1A1GAANPSR1 | |
| SCHEMBL7267796 | 0.81 | CACNA1F (0.57) | MAPTMAPK1ALDH1A1GAANPSR1 | |
| SCHEMBL11524058 | 0.80 | ADORA3 (0.63) | MAPTMAPK1ALDH1A1GAANPSR1 | |
| SCHEMBL1664958 | 0.80 | KDM4E (0.80) | ALDH1A1GAACYP2C9CYP2C19ADORA3 |
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 5 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-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 |
| 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 |