Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 10/20 | 0.64 |
| ▸ | KDR | P35968 | 7/20 | 0.64 |
| ▸ | RET | P07949 | 5/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | MAP3K8 | P41279 | 7/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4034614 | 0.98 | CDK1 (0.65) | CDK1KDRRETERBB2MAP3K8 | |
| SCHEMBL4036313 | 0.90 | CDK1 (0.78) | CDK1KDRERBB2MAP3K8CCNB1 | |
| SCHEMBL4033703 | 0.90 | CDK1 (0.63) | CDK1KDRRETERBB2MAP3K8 | |
| SCHEMBL4037260 | 0.89 | CDK1 (0.61) | CDK1KDRRETERBB2MAP3K8 | |
| SCHEMBL5822000 | 0.88 | CDK1 (0.59) | CDK1KDRRETERBB2MAP3K8 | |
| SCHEMBL4034333 | 0.85 | RET (0.59) | CDK1KDRRETERBB2MAP3K8 | |
| SCHEMBL4036699 | 0.84 | CDK1 (0.76) | CDK1KDRRETERBB2 | |
| SCHEMBL4036085 | 0.83 | KDR (0.56) | CDK1KDRRETERBB2 | |
| SCHEMBL4036343 | 0.83 | CDK1 (0.74) | CDK1KDRRETERBB2 | |
| SCHEMBL4035751 | 0.80 | KDR (0.72) | CDK1KDRRETERBB2 |
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-2006130673-A1 | 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-12-07 | — | — | WO | disclosed |