Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL31721218 | 0.87 | CHRM3 (0.61) | CYP2D6CYP2C9HIF1AHDAC1HDAC8 | |
| SCHEMBL6583930 | 0.87 | ABL1 (0.60) | CYP2D6CYP2C9HIF1ARAB9AHTT | |
| SCHEMBL1370757 | 0.84 | CYP2D6 (0.72) | CYP2D6CYP2C9HIF1APRMT6PTPN2 | |
| SCHEMBL30577950 | 0.84 | CYP2D6 (0.72) | CYP2D6CYP2C9HIF1APRMT6PTPN2 | |
| SCHEMBL1397213 | 0.83 | CYP2D6 (0.75) | CYP2D6CYP2C9HIF1APRMT6GAA | |
| SCHEMBL27789265 | 0.83 | CYP2D6 (0.79) | CYP2D6CYP2C9HIF1APRMT6GAA | |
| SCHEMBL29631127 | 0.83 | CYP2D6 (0.97) | CYP2D6CYP2C9HIF1APRMT6GAA | |
| SCHEMBL11369241 | 0.83 | CYP2D6 (0.97) | CYP2D6CYP2C9HIF1APRMT6GAA | |
| SCHEMBL1370756 | 0.81 | CYP2D6 (0.72) | CYP2D6CYP2C9HIF1APRMT6GAA | |
| Hydrochloric Acid SCHEMBL1371448 | 0.81 | CYP2D6 (0.94) | CYP2D6CYP2C9HIF1APRMT6GAA |
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 |