Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 7/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7002937 | 0.94 | CHEK1 (0.61) | KDRCHEK1CA12CA1CA2 | |
| SCHEMBL6998816 | 0.93 | GLA (0.55) | KDRCHEK1CA12CA1CA2 | |
| SCHEMBL7701118 | 0.89 | KDR (0.61) | KDRCHEK1CDK1CDK2NAMPT | |
| SCHEMBL7701734 | 0.89 | CHEK1 (0.58) | KDRCHEK1CDK1CDK2NAMPT | |
| SCHEMBL7704101 | 0.88 | CHEK1 (0.57) | KDRCHEK1CDK1CDK2NAMPT | |
| SCHEMBL7701651 | 0.87 | KDM4E (0.57) | KDRCHEK1CA12CA1CA2 | |
| SCHEMBL7696919 | 0.85 | HTR1A (0.54) | KDRCHEK1CA12CA1CA2 | |
| SCHEMBL7094822 | 0.84 | KDR (0.56) | KDRCHEK1CDK1CDK2NAMPT | |
| SCHEMBL7698438 | 0.83 | LMNA (0.58) | KDRCHEK1CDK1CDK2NAMPT | |
| SCHEMBL7002950 | 0.83 | LMNA (0.58) | KDRCHEK1CDK1CDK2NAMPT |
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 |