Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | TDP2 | O95551 | 2/20 | 0.36 |
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 | 0.86 | KDM4C (0.49) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6581144 | 0.83 | NR1H2 (0.53) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6578492 | 0.83 | NR1H2 (0.47) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6578166 | 0.81 | HSD17B2 (0.51) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| Pyrrolidine SCHEMBL6582654 | 0.79 | KDM4C (0.43) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6580791 | 0.78 | TNK2 (0.43) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6578551 | 0.78 | NPC1 (0.39) | DRD1NR1H2NR1H3NPC1RAB9A | |
| SCHEMBL8367047 | 0.78 | DRD1 (0.72) | DRD1NPC1RAB9AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL6583998 | 0.78 | TNK2 (0.42) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6580847 | 0.77 | TDP2 (0.44) | NR1H2NR1H3NPC1RAB9AHSD17B2 |
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 |