Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6582997 | 0.95 | NR1H2 (0.43) | NPC1RAB9ATDP1ADORA3ADORA1 | |
| SCHEMBL6578551 | 0.90 | NPC1 (0.39) | NPC1RAB9ATDP1ADORA3ADORA1 | |
| SCHEMBL17280132 | 0.88 | TDP1 (0.47) | NPC1RAB9ATDP1ADORA3ADORA1 | |
| SCHEMBL6580839 | 0.85 | KDM4C (0.49) | NPC1RAB9ATDP1ADORA3ADORA1 | |
| SCHEMBL6581334 | 0.82 | NPC1 (0.40) | NPC1RAB9ATDP1ADORA3ADORA1 | |
| SCHEMBL6580805 | 0.82 | TGM2 (0.51) | NPC1RAB9ATDP1ALDH1A1KDM4E | |
| SCHEMBL6581299 | 0.81 | NR1H2 (0.45) | NPC1RAB9ATDP1ALDH1A1KDM4E | |
| SCHEMBL6578727 | 0.81 | NR1H2 (0.43) | NPC1RAB9ATDP1NR1H2NR1H3 | |
| SCHEMBL6578166 | 0.80 | HSD17B2 (0.51) | NPC1RAB9ATDP1ADORA3ADORA1 | |
| SCHEMBL6581102 | 0.80 | NR1H3 (0.57) | NPC1RAB9ATDP1ALDH1A1SMN1; SMN2 |
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 |