Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 14/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.71 |
| ▸ | TSHR | P16473 | 13/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 10/20 | 0.71 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.71 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.71 |
| ▸ | TP53 | P04637 | 6/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.70 |
| ▸ | LMNA | P02545 | 4/20 | 0.70 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.70 |
| ▸ | CDK9 | P50750 | 5/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.61 |
| ▸ | CDK1 | P06493 | 2/20 | 0.61 |
| ▸ | CDK4 | P11802 | 2/20 | 0.61 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL4109458 | 0.90 | CYP2D6 (0.73) | CYP2D6CYP1A2CYP2C19TSHRMAPK1 | |
| SCHEMBL4108973 | 0.82 | CDK9 (1.00) | CYP2D6CYP1A2CYP2C19CLK4HSD17B10 | |
| SCHEMBL4103269 | 0.82 | CYP2D6 (0.75) | CYP2D6CYP1A2CYP2C19TSHRMAPK1 | |
| SCHEMBL2225663 | 0.78 | EGFR (0.59) | CYP2D6CYP1A2CYP2C19TSHRMAPK1 | |
| SCHEMBL4113723 | 0.78 | CYP1A2 (0.84) | CYP2D6CYP1A2CYP2C19TSHRMAPK1 | |
| SCHEMBL2226983 | 0.78 | CA1 (0.46) | CYP2D6CYP1A2CYP2C19TSHRMAPK1 | |
| SCHEMBL4097361 | 0.78 | CYP1A2 (1.00) | CYP2D6CYP1A2CYP2C19TSHRMAPK1 | |
| SCHEMBL4108956 | 0.78 | CDK9 (0.80) | CYP2D6CYP1A2CYP2C19CLK4HSD17B10 | |
| SCHEMBL28262374 | 0.77 | CYP2D6 (0.69) | CYP2D6CYP1A2CYP2C19TSHRMAPK1 | |
| SCHEMBL4430368 | 0.76 | CDK9 (1.00) | CYP2D6CYP1A2CYP2C19TSHRMAPK1 |
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-1901747-A2 | PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN | Ingenium Pharmaceuticals AG (DE) | 2008-03-26 | — | — | EP | disclosed |
| WO-2006125616-A2 | PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN | INGENIUM PHARMACEUTICALS AG (DE) | 2006-11-30 | — | — | WO | disclosed |