Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 7/20 | 0.57 |
| ▸ | KDR | P35968 | 3/20 | 0.56 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094928 | 0.91 | KDR (0.64) | CHEK1KDRCDK1CDK2PTPN1 | |
| SCHEMBL6994408 | 0.91 | KDR (0.64) | CHEK1KDRCDK1CDK2PTPN1 | |
| SCHEMBL7091231 | 0.91 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2ROCK2 | |
| Water SCHEMBL7089950 | 0.90 | KDR (0.63) | CHEK1KDRCDK1CDK2PTPN1 | |
| SCHEMBL7093397 | 0.89 | CHEK1 (0.54) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7002081 | 0.88 | CDK1 (0.67) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL6994516 | 0.88 | KDR (0.51) | CHEK1KDRNPC1TP53SMN1; SMN2 | |
| SCHEMBL7700585 | 0.86 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7702867 | 0.86 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2TDP1 | |
| SCHEMBL7703594 | 0.86 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2ROCK2 |
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 |