Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | GRK2 | P25098 | 3/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | GRK3 | P35626 | 1/20 | 0.36 |
| ▸ | GRK7 | Q8WTQ7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7090287 | 0.78 | KDR (0.44) | CDK2CDK1NPC1CCNE2CDK4 | |
| SCHEMBL7093050 | 0.76 | CCNE1 (0.55) | NAMPTF2LRRK2PRSS1CDK2 | |
| SCHEMBL7092553 | 0.73 | CDK1 (0.71) | CDK2CDK1NPC1 | |
| SCHEMBL19241982 | 0.68 | F2 (0.56) | F2HDAC1PRSS1HDAC3MAPKAPK2 | |
| SCHEMBL19242051 | 0.66 | F2 (0.61) | F2HDAC1PRSS1MAPKAPK2 | |
| SCHEMBL2126955 | 0.65 | F2 (0.70) | F2HDAC1PRSS1MAPKAPK2ADRA2C | |
| SCHEMBL7096045 | 0.65 | LRRK2 (0.43) | NAMPTF2HDAC1LRRK2PRSS1 | |
| SCHEMBL6996466 | 0.65 | KMT2A (0.61) | NAMPTF2HDAC1LRRK2PRSS1 | |
| Hydrochloric Acid SCHEMBL7422969 | 0.63 | F2 (0.68) | F2HDAC1PRSS1MAPKAPK2ADRA2C | |
| Hydrochloric Acid SCHEMBL27679067 | 0.63 | F2 (0.68) | F2HDAC1PRSS1MAPKAPK2ADRA2C |
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-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| US-6297238-B1 | 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |