Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 5/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL955039 | 0.76 | MEN1 (0.49) | NTRK1PLK1MEN1KMT2ALCK | |
| SCHEMBL8768550 | 0.74 | HCAR2 (0.32) | KDM4E | |
| SCHEMBL8219739 | 0.73 | MEN1 (0.43) | MEN1KMT2AMAPK14ROCK2ROCK1 | |
| SCHEMBL2804529 | 0.72 | L3MBTL1 (0.52) | MEN1KMT2AKDM4EALDH1A1TDP1 | |
| SCHEMBL1645592 | 0.71 | JAK2 (0.52) | MEN1KMT2ANPC1 | |
| SCHEMBL12992949 | 0.70 | MEN1 (0.40) | NTRK1PLK1MEN1KMT2AMAPK14 | |
| SCHEMBL3942467 | 0.69 | CDK2 (0.48) | NTRK1PLK1MEN1KMT2ALCK | |
| SCHEMBL10917448 | 0.68 | FABP4 (0.46) | MEN1KMT2AMAPK14KDM4EALDH1A1 | |
| SCHEMBL27696959 | 0.68 | HDAC3 (0.40) | KDM4EALDH1A1NPC1HDAC1HDAC8 | |
| SCHEMBL2801400 | 0.68 | L3MBTL1 (0.53) | MEN1KMT2AALDH1A1TDP1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651612-B9 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LTD (GB) | 2012-09-05 | — | — | EP | disclosed |
| US-7977477-B2 | Benzimidazole derivatives and their use as protein kinase inhibitors | ASTEX THERAPEUTICS, LIMITED (GB) | 2011-07-12 | — | — | US | disclosed |