Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.48 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 2/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6580839 | 0.95 | KDM4C (0.49) | HSD17B2NR1H2NR1H3NPC1RAB9A | |
| Pyrrolidine SCHEMBL6582654 | 0.87 | KDM4C (0.43) | HSD17B2NR1H2NR1H3NPC1RAB9A | |
| SCHEMBL6578621 | 0.85 | NR1H2 (0.43) | HSD17B2NR1H2NR1H3NPC1RAB9A | |
| SCHEMBL6582997 | 0.85 | NR1H2 (0.43) | NR1H2NR1H3NPC1RAB9ATDP1 | |
| SCHEMBL6584155 | 0.85 | NR1H3 (0.51) | NR1H2NR1H3NPC1RAB9ATDP1 | |
| SCHEMBL6584148 | 0.84 | NR1H3 (0.48) | NR1H2NR1H3NPC1RAB9ATDP1 | |
| SCHEMBL6581065 | 0.84 | NR1H3 (0.48) | HSD17B2NR1H2NR1H3NPC1RAB9A | |
| SCHEMBL6578958 | 0.84 | NR1H3 (0.48) | NR1H2NR1H3NPC1RAB9ATDP1 | |
| SCHEMBL6578548 | 0.83 | NR1H3 (0.64) | NR1H2NR1H3NPC1RAB9ATDP1 | |
| SCHEMBL6580847 | 0.83 | TDP2 (0.44) | HSD17B2NR1H2NR1H3NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |