Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | FOXO1 | Q12778 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3530983 | 0.87 | KDR (0.53) | ALDH1A1KDM4EMAPTLMNAL3MBTL1 | |
| SCHEMBL29620917 | 0.81 | KCNQ3 (0.53) | ALDH1A1KDM4EMAPTLMNAL3MBTL1 | |
| SCHEMBL17596247 | 0.81 | KCNQ3 (0.53) | ALDH1A1KDM4EMAPTLMNAL3MBTL1 | |
| SCHEMBL4294249 | 0.81 | HSD11B1 (0.45) | RAB9AHTTKDRMRGPRX4 | |
| Hydrochloric Acid SCHEMBL30536936 | 0.79 | HSD11B1 (0.44) | RAB9AHTTKDRMRGPRX4 | |
| SCHEMBL24400223 | 0.79 | KMO (0.43) | CYP1A2CYP2D6CYP2C19RAB9AFOXO1 | |
| SCHEMBL9526608 | 0.79 | NOTUM (0.46) | CYP1A2CYP2D6CYP2C19RAB9AFOXO1 | |
| SCHEMBL1920001 | 0.79 | TSHR (0.59) | ALDH1A1MAPTKDRMRGPRX4 | |
| SCHEMBL29624981 | 0.79 | TSHR (0.59) | ALDH1A1MAPTKDRMRGPRX4 | |
| SCHEMBL30255650 | 0.79 | NOTUM (0.46) | CYP1A2CYP2D6CYP2C19RAB9AFOXO1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1148357-C | Triazole and imidazole derivative | - | 2004-05-05 | — | — | CN | disclosed |
| 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 |
| CN-1281852-A | Triazole and imidazole derivative | HOFFMANN LA ROCHE (CH) | 2001-01-31 | — | — | CN | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |