Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TYMS | P04818 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29695625 | 0.74 | KMT2A (0.58) | GSK3BPIN1KMT2AMAPTHPGD | |
| SCHEMBL28163919 | 0.73 | KMT2A (0.55) | ABCG2KMT2AMAPTHPGDLMNA | |
| SCHEMBL1324570 | 0.70 | EGFR (0.51) | ABCG2GSK3BPIN1KMT2AMAPT | |
| SCHEMBL1325059 | 0.69 | EGFR (0.50) | ABCG2GSK3BMAPTHPGDLMNA | |
| SCHEMBL2714568 | 0.69 | MAPT (0.60) | ABCG2GSK3BKMT2AMAPTHPGD | |
| SCHEMBL27334256 | 0.68 | MAPT (0.51) | ABCG2KMT2AMAPTHPGDLMNA | |
| SCHEMBL11837349 | 0.68 | GSK3B (0.57) | ABCG2GSK3BPIN1KMT2AMAPT | |
| SCHEMBL12100934 | 0.68 | GSK3B (0.57) | ABCG2GSK3BPIN1KMT2AMAPT | |
| SCHEMBL11834671 | 0.67 | GSK3B (0.65) | ABCG2GSK3BPIN1KMT2AMAPT | |
| SCHEMBL30186735 | 0.66 | ADORA2A (0.59) | MAPTHPGDLMNAGAANPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010040806-A1 | NOVEL DIPHENYL PURINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 2010-04-15 | — | — | WO | disclosed |