Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 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 | |
|---|---|---|---|---|
| SCHEMBL6578492 | 0.85 | NR1H2 (0.47) | NR1H2NR1H3RAB9ANPC1KDM4C | |
| SCHEMBL6582815 | 0.83 | NR1H3 (0.47) | NR1H2NR1H3RAB9ANPC1ADORA1 | |
| SCHEMBL6580839 | 0.81 | KDM4C (0.49) | NR1H2NR1H3RAB9ANPC1KDM4C | |
| SCHEMBL6581328 | 0.80 | NR1H3 (0.45) | NR1H2NR1H3RAB9ANPC1ADORA1 | |
| SCHEMBL6584053 | 0.79 | ACP1 (0.46) | NR1H2NR1H3RAB9ANPC1KDM4C | |
| Hydrochloric Acid SCHEMBL6580533 | 0.78 | ACP1 (0.45) | NR1H2NR1H3RAB9ANPC1KDM4C | |
| SCHEMBL6578571 | 0.77 | ADORA2A (0.68) | NR1H2NR1H3RAB9ANPC1KDM4C | |
| SCHEMBL6578508 | 0.77 | ADORA2A (0.55) | ADORA1ADORA2A | |
| SCHEMBL6578166 | 0.76 | HSD17B2 (0.51) | NR1H2NR1H3RAB9ANPC1KDM4C | |
| Hydrochloric Acid SCHEMBL6578595 | 0.76 | ADORA2A (0.54) | ADORA1ADORA2A |
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-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | claimed |