Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.34 |
| ▸ | TCF7L2 | Q9NQB0 | 2/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7880591 | 0.84 | CLK1 (0.37) | EGFRNTRK1ROCK1ENPP1LRRK2 | |
| SCHEMBL7094580 | 0.83 | RAB9A (0.46) | KDM4EEGFRLRRK2NAMPTROCK2 | |
| SCHEMBL7096045 | 0.82 | LRRK2 (0.43) | EGFRROCK1ENPP1LRRK2NAMPT | |
| SCHEMBL7093132 | 0.81 | HTR6 (0.37) | NTRK1ROCK1CDK1KDRMELK | |
| SCHEMBL7090927 | 0.80 | GAA (0.46) | KDM4EGAAMAPTL3MBTL1EGFR | |
| SCHEMBL7092191 | 0.79 | CXCR4 (0.51) | KDM4EGAAEGFRNTRK1ROCK1 | |
| SCHEMBL7095832 | 0.77 | AURKB (0.40) | KDM4EMAPTALDH1A1KMT2AABL1 | |
| SCHEMBL7097039 | 0.76 | EGFR (0.42) | EGFRROCK1ENPP1NAMPTALDH1A1 | |
| SCHEMBL7886097 | 0.75 | NOS2 (0.52) | EGFRLRRK2KMT2AMAPK13MAPK12 | |
| SCHEMBL7091910 | 0.74 | L3MBTL1 (0.46) | KDM4EMAPTL3MBTL1EGFRNTRK1 |
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 |