Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 6/20 | 0.34 |
| ▸ | ATR | Q13535 | 2/20 | 0.33 |
| ▸ | ATRIP | Q8WXE1 | 2/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3042563 | 0.86 | TBK1 (0.32) | NR1H2ATRATRIPTBK1 | |
| SCHEMBL5133879 | 0.85 | HRH3 (0.33) | NR1H2ATRATRIPHRH3 | |
| SCHEMBL3052537 | 0.77 | PARP1 (0.35) | NR1H2TBK1HRH3 | |
| SCHEMBL3043946 | 0.77 | NR1H2 (0.34) | NR1H2TBK1HRH3 | |
| SCHEMBL3046394 | 0.76 | NR1H2 (0.33) | NR1H2ATRATRIPTBK1HRH3 | |
| SCHEMBL5133804 | 0.76 | DRD2 (0.36) | NR1H2ATRATRIP | |
| SCHEMBL3048541 | 0.76 | NR1H2 (0.35) | NR1H2ATRATRIPTBK1 | |
| SCHEMBL27700218 | 0.76 | NR1H2 (0.33) | NR1H2HRH3 | |
| SCHEMBL3043777 | 0.75 | HRH3 (0.33) | HRH3 | |
| SCHEMBL3042568 | 0.75 | TBK1 (0.31) | NR1H2ATRATRIPTBK1 |
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 |