Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 11/20 | 0.49 |
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL7696838 | 0.97 | CHEK1 (0.48) | CHEK1KDRCDK2CDK1ATG4B | |
| SCHEMBL7696882 | 0.95 | CHEK1 (0.51) | CHEK1KDRCDK2CDK1KCNH2 | |
| SCHEMBL7701117 | 0.88 | CHEK1 (0.51) | CHEK1KDRCDK2CDK1KCNH2 | |
| SCHEMBL7094461 | 0.87 | CHEK1 (0.56) | CHEK1KDRCDK2CDK1ATG4B | |
| SCHEMBL7701963 | 0.87 | CHEK1 (0.57) | CHEK1KDRCDK2CDK1KCNH2 | |
| SCHEMBL7000883 | 0.86 | KDR (0.55) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7704050 | 0.84 | CHEK1 (0.52) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7698455 | 0.84 | CHEK1 (0.56) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7093375 | 0.83 | CHEK1 (0.50) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL6997411 | 0.82 | KDR (0.57) | CHEK1KDRCDK2CDK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6462036-B1 | INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |