Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | CHKA | P35790 | 1/20 | 0.45 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3412153 | 0.86 | MC4R (0.56) | LMNACHRNA7MC4RKDM4EALDH1A1 | |
| SCHEMBL22169239 | 0.85 | KMT2A (0.51) | LMNACHRNA7MC4RKDM4EALDH1A1 | |
| SCHEMBL309875 | 0.85 | LMNA (0.49) | LMNACHRNA7MC4RKDM4EALDH1A1 | |
| SCHEMBL24113849 | 0.83 | KDM4E (0.48) | LMNACHRNA7MC4RKDM4EALDH1A1 | |
| SCHEMBL18658782 | 0.83 | LMNA (0.51) | LMNACHRNA7MC4RKDM4EALDH1A1 | |
| SCHEMBL22169121 | 0.81 | DRD2 (0.52) | LMNAKDM4EALDH1A1POLBHTR6 | |
| SCHEMBL5498471 | 0.80 | ALDH1A1 (0.55) | LMNACHRNA7MC4RKDM4EALDH1A1 | |
| SCHEMBL31172442 | 0.79 | CYP2A13 (0.57) | LMNAKDM4EALDH1A1NCF1ADORA2A | |
| SCHEMBL6055273 | 0.79 | CYP2A13 (0.57) | LMNAKDM4EALDH1A1NCF1ADORA2A | |
| SCHEMBL14407776 | 0.75 | MPO (0.57) | KDM4EALDH1A1CYP2D6MPO |
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 |
|---|---|---|---|---|---|---|---|
| US-8778936-B2 | Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases | ASTEX THERAPEUTICS LIMITED (GB) | 2014-07-15 | — | — | US | disclosed |
| EP-1968579-A1 | PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Limited (GB) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077435-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2007-07-12 | — | — | WO | disclosed |