Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 3/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 4/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 4/20 | 0.41 |
| ▸ | BCR | P11274 | 4/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL27801092 | 0.82 | ADORA3 (0.45) | ADORA3CYP1A2CLK4USP2CYP3A4 | |
| SCHEMBL28789684 | 0.81 | ADORA3 (0.61) | ADORA3CYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL27821799 | 0.81 | FAAH (0.48) | ADORA3CYP1A2CLK4USP2CYP3A4 | |
| SCHEMBL27800929 | 0.81 | FAAH (0.48) | ADORA3CYP1A2CLK4USP2CYP3A4 | |
| SCHEMBL1848695 | 0.81 | CDK9 (0.60) | ADORA3CYP1A2CLK4USP2CYP3A4 | |
| SCHEMBL1853027 | 0.81 | CDK9 (0.61) | ADORA3CYP1A2CLK4USP2CYP3A4 | |
| SCHEMBL27800912 | 0.79 | CDK9 (0.48) | ADORA3CYP1A2CLK4USP2CYP3A4 | |
| SCHEMBL28785978 | 0.78 | KMT2A (0.45) | ADORA3KMOCDK9ABL1BCR | |
| SCHEMBL27800967 | 0.78 | CDK9 (0.49) | ADORA3CYP1A2CLK4USP2CYP3A4 | |
| SCHEMBL27801096 | 0.76 | CDK9 (0.71) | CYP1A2CLK4CYP3A4CYP2D6CDK9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101889004-A | Protein kinase inhibitors | INGENIUM PHARMACEUTICALS GMBH | 2010-11-17 | — | — | CN | disclosed |