Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | POLH | Q9Y253 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.42 |
| ▸ | CREB1 | P16220 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3697541 | 0.89 | ADORA3 (0.59) | ADORA3KDM4EGAAALDH1A1MAPT | |
| SCHEMBL1207565 | 0.81 | ACE2 (0.61) | ADORA3KDM4EGAAMAPTPOLH | |
| SCHEMBL16237121 | 0.79 | ADORA3 (0.75) | ADORA3KDM4EGAAMAPTPPARG | |
| SCHEMBL1664326 | 0.78 | ADORA3 (0.70) | ADORA3KDM4EGAAMAPTPPARG | |
| SCHEMBL7458770 | 0.77 | ABCG2 (0.70) | ADORA3KDM4EGAAALDH1A1MAPT | |
| SCHEMBL3710678 | 0.75 | ADORA3 (0.65) | ADORA3KDM4EGAAMAPTPPARG | |
| SCHEMBL1764663 | 0.75 | ABCG2 (0.66) | ADORA3KDM4EGAAALDH1A1MAPT | |
| SCHEMBL1663784 | 0.74 | ADORA3 (1.00) | ADORA3KDM4EALDH1A1MAPTPPARG | |
| SCHEMBL30741225 | 0.74 | ADORA3 (1.00) | ADORA3KDM4EALDH1A1MAPTPPARG | |
| SCHEMBL1663857 | 0.73 | ADORA3 (1.00) | ADORA3MAPTPPARGPOLHCREB1 |
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 8 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 |
| CN-100415731-C | Compound for treating hepatitis B and pharmaceutical composition thereof | IND TECH RES INST (CN) | 2008-09-03 | — | — | CN | disclosed |
| CN-1796381-A | Compound for treating hepatitis B and pharmaceutical composition thereof | IND TECH INST (CN) | 2006-07-05 | — | — | CN | 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 |