Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.39 |
| ▸ | GRK2 | P25098 | 3/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | GRK3 | P35626 | 1/20 | 0.39 |
| ▸ | GRK7 | Q8WTQ7 | 1/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | LYN | P07948 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094580 | 0.88 | RAB9A (0.46) | LRRK2NAMPTROCK2GRK2PRKCA | |
| SCHEMBL7090927 | 0.85 | GAA (0.46) | MAPK1EGFRHDAC1 | |
| SCHEMBL7094646 | 0.85 | NAMPT (0.42) | LRRK2NAMPTMAPK3MAPK1ROCK1 | |
| SCHEMBL7092191 | 0.83 | CXCR4 (0.51) | ROCK2MAPK1EGFRROCK1ENPP1 | |
| SCHEMBL7097405 | 0.82 | KDM4E (0.41) | LRRK2NAMPTROCK2MAPK1EGFR | |
| SCHEMBL7097039 | 0.80 | EGFR (0.42) | NAMPTROCK2EGFRROCK1ENPP1 | |
| SCHEMBL7890027 | 0.79 | HDAC1 (0.37) | NAMPTROCK2ROCK1HDAC1HDAC3 | |
| SCHEMBL7886097 | 0.79 | NOS2 (0.52) | LRRK2EGFRHDAC1HDAC3 | |
| SCHEMBL7880591 | 0.79 | CLK1 (0.37) | LRRK2NAMPTEGFRROCK1ENPP1 | |
| SCHEMBL7094609 | 0.79 | NTRK1 (0.43) | LRRK2CLK2DYRK1A |
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 |