Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 12/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3046509 | 0.86 | NR1H2 (0.38) | NR1H2NQO2BRD4CREBBPATR | |
| SCHEMBL3047313 | 0.85 | NR1H2 (0.36) | NR1H2NQO2BRD4CREBBPATR | |
| SCHEMBL3043790 | 0.85 | NR1H2 (0.45) | NR1H2BRD4CREBBPNR1H3 | |
| SCHEMBL3034068 | 0.85 | NR1H2 (0.36) | NR1H2NQO2BRD4CREBBPATR | |
| SCHEMBL3049037 | 0.84 | NR1H2 (0.36) | NR1H2NQO2NR1H3 | |
| SCHEMBL3037585 | 0.84 | NR1H2 (0.34) | NR1H2NQO2BRD4CREBBPATR | |
| SCHEMBL3047552 | 0.84 | NR1H2 (0.36) | NR1H2NQO2NR1H3 | |
| SCHEMBL3044795 | 0.84 | NR1H2 (0.35) | NR1H2NQO2BRD4CREBBPATR | |
| SCHEMBL3051211 | 0.84 | NR1H2 (0.35) | NR1H2NQO2NR1H3 | |
| SCHEMBL3046720 | 0.84 | NR1H2 (0.35) | NR1H2NQO2NR1H3 |
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 |