Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | USP1 | O94782 | 1/20 | 0.36 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL7096045 | 0.88 | LRRK2 (0.43) | ROCK2HDAC1LRRK2NAMPTEGFR | |
| SCHEMBL7097405 | 0.83 | KDM4E (0.41) | ROCK2CSF1RLRRK2FYNNAMPT | |
| SCHEMBL7092191 | 0.81 | CXCR4 (0.51) | RAB9AROCK2HDAC1HDAC8HDAC6 | |
| SCHEMBL7880591 | 0.80 | CLK1 (0.37) | LRRK2NAMPTEGFR | |
| SCHEMBL7090927 | 0.80 | GAA (0.46) | RAB9AHDAC1EGFRKDM4E | |
| SCHEMBL7097039 | 0.79 | EGFR (0.42) | RAB9AROCK2NAMPTEGFR | |
| SCHEMBL7094646 | 0.78 | NAMPT (0.42) | LRRK2NAMPTKDM4E | |
| SCHEMBL7093132 | 0.77 | HTR6 (0.37) | HDAC1 | |
| SCHEMBL7886097 | 0.76 | NOS2 (0.52) | RAB9AHDAC1HDAC6LRRK2EGFR | |
| SCHEMBL7091910 | 0.76 | L3MBTL1 (0.46) | RAB9AROCK2HDAC1HDAC6EGFR |
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 |