Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | CFD | P00746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 4/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MFN2 | O95140 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12000436 | 1.00 | EPHX1 (0.46) | EPHX1HPGDBRD4DRD4CFD | |
| SCHEMBL8212906 | 0.85 | EPHX2 (0.44) | EPHX1BRD4KDM4EALDH1A1RAB9A | |
| SCHEMBL8216567 | 0.85 | EPHX2 (0.44) | EPHX1BRD4KDM4EALDH1A1RAB9A | |
| SCHEMBL1286738 | 0.81 | L3MBTL1 (0.35) | BRD4KDM4EALDH1A1GSK3BPOLB | |
| SCHEMBL8222280 | 0.81 | L3MBTL1 (0.35) | BRD4KDM4EALDH1A1GSK3BPOLB | |
| SCHEMBL12062383 | 0.80 | BRD4 (0.35) | BRD4ALDH1A1RAB9ANPC1L3MBTL1 | |
| SCHEMBL8262291 | 0.80 | F2 (0.39) | BRD4RAB9ANPC1 | |
| SCHEMBL1286712 | 0.78 | CDK1 (0.48) | BRD4GSK3BRAB9ANPC1KMT2A | |
| SCHEMBL8226019 | 0.77 | CFD (0.51) | CFDKDM4EALDH1A1GAAGSK3B | |
| SCHEMBL8214922 | 0.75 | CDK2 (0.64) | KMT2AL3MBTL1 |
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-2256106-A1 | 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators | Astex Therapeutics Limited (GB) | 2010-12-01 | — | — | EP | disclosed |
| WO-2008007122-A2 | COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |