Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 9/20 | 0.61 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | ME2 | P23368 | 1/20 | 0.54 |
| ▸ | ME1 | P48163 | 1/20 | 0.54 |
| ▸ | ME3 | Q16798 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 4/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL7704717 | 0.94 | KDR (0.55) | CHEK1CA12CA2CA9CA1 | |
| SCHEMBL6998816 | 0.92 | GLA (0.55) | CHEK1CA12CA2CA9CA1 | |
| SCHEMBL7701118 | 0.87 | KDR (0.61) | CHEK1KDRCDK1CDK2NAMPT | |
| SCHEMBL7701734 | 0.86 | CHEK1 (0.58) | CHEK1KDRCDK1CDK2NAMPT | |
| SCHEMBL7704101 | 0.86 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2NAMPT | |
| SCHEMBL7701651 | 0.85 | KDM4E (0.57) | CHEK1CA12CA2CA9CA1 | |
| SCHEMBL7696919 | 0.82 | HTR1A (0.54) | CHEK1CA12CA2CA9CA1 | |
| SCHEMBL7094822 | 0.82 | KDR (0.56) | CHEK1KDRCDK1CDK2NAMPT | |
| SCHEMBL7698438 | 0.79 | LMNA (0.58) | CHEK1KDRCDK1CDK2NAMPT | |
| SCHEMBL7002950 | 0.79 | LMNA (0.58) | CHEK1KDRCDK1CDK2NAMPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1289525-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | Abbott GmbH & Co. KG (DE) | 2003-03-12 | — | — | EP | disclosed |
| 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 |
| WO-2001087846-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) | 2001-11-22 | — | — | WO | disclosed |