Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 1.00 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.74 |
| ▸ | EGFR | P00533 | 1/20 | 0.65 |
| ▸ | RET | P07949 | 1/20 | 0.65 |
| ▸ | KDR | P35968 | 1/20 | 0.65 |
| ▸ | POLH | Q9Y253 | 2/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.63 |
| ▸ | PPARG | P37231 | 2/20 | 0.55 |
| ▸ | CREB1 | P16220 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | P4HB | P07237 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30741225 | 0.87 | ADORA3 (1.00) | ADORA3ACE2EGFRRETKDR | |
| SCHEMBL1663784 | 0.87 | ADORA3 (1.00) | ADORA3ACE2EGFRRETKDR | |
| SCHEMBL31031138 | 0.86 | ADORA3 (0.75) | ADORA3ACE2POLHABCB1PPARG | |
| SCHEMBL18130384 | 0.81 | ABCB1 (0.83) | ADORA3POLHABCB1CYP3A4CYP2D6 | |
| SCHEMBL117535 | 0.81 | ADORA3 (0.69) | ADORA3ACE2POLHABCB1PPARG | |
| Morin Pentaethyl Ether SCHEMBL1664234 | 0.81 | ADORA3 (1.00) | ADORA3ACE2EGFRRETKDR | |
| SCHEMBL13081662 | 0.79 | ACE2 (0.72) | ADORA3ACE2POLHCYP3A4CYP2D6 | |
| SCHEMBL11097722 | 0.79 | ABCG2 (0.82) | ADORA3ACE2POLHABCB1PPARG | |
| SCHEMBL7202826 | 0.79 | POLH (1.00) | ADORA3ACE2EGFRRETKDR | |
| SCHEMBL17620271 | 0.79 | ACE2 (0.83) | ADORA3ACE2POLHABCB1 |
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 6 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 |
| US-11857600-B2 | GPCR heteromer inhibitors and uses thereof | GPCR THERAPEUTICS, INC. (KR) | 2024-01-02 | — | — | US | 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 |