Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.64 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.64 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 8/20 | 0.61 |
| ▸ | TP53 | P04637 | 5/20 | 0.61 |
| ▸ | HPGD | P15428 | 5/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | CASP1 | P29466 | 2/20 | 0.61 |
| ▸ | CASP7 | P55210 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL2121813 | 0.89 | KDM4E (0.74) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL15676583 | 0.89 | KDM4E (0.74) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL4650608 | 0.87 | CSNK2A2 (0.82) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL27325970 | 0.84 | KDM4E (0.62) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL7124716 | 0.84 | CSNK2A2 (0.74) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL5138118 | 0.81 | MAPT (0.84) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL7659274 | 0.80 | ADORA3 (0.81) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL15676588 | 0.79 | KDM4E (0.85) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL4650060 | 0.79 | KDM4E (0.85) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL7606772 | 0.79 | CSNK2A2 (0.67) | ADORA3KDM4ECYP3A4HSD17B10ALDH1A1 |
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 2 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 |
| 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 |