Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 16/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5049582 | 0.86 | NR1H2 (0.47) | NR1H2BRD4CREBBPNR1H3ATR | |
| SCHEMBL3043890 | 0.76 | BRD4 (0.38) | NR1H2BRD4CREBBPNR1H3TTK | |
| SCHEMBL5046843 | 0.75 | NR1H2 (0.41) | NR1H2BRD4CREBBPNR1H3ATR | |
| SCHEMBL3044227 | 0.75 | BRD4 (0.39) | NR1H2BRD4CREBBPNR1H3ATR | |
| SCHEMBL31694045 | 0.74 | NR1H2 (0.59) | NR1H2NR1H3 | |
| SCHEMBL3034386 | 0.74 | BRD4 (0.51) | NR1H2BRD4CREBBPNR1H3 | |
| SCHEMBL3047590 | 0.73 | NR1H2 (0.45) | NR1H2BRD4CREBBPNR1H3ATR | |
| SCHEMBL3037160 | 0.73 | ATR (0.40) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL21629674 | 0.73 | NR1H2 (0.43) | NR1H2NR1H3TTK | |
| SCHEMBL3039340 | 0.73 | BRD4 (0.37) | NR1H2BRD4CREBBPATRATRIP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |