Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL282438 | 0.84 | FDPS (0.37) | — | |
| Hydrochloric Acid SCHEMBL4158783 | 0.82 | FDPS (0.36) | — | |
| SCHEMBL2298232 | 0.82 | FDPS (0.36) | — | |
| SCHEMBL870763 | 0.76 | TSHR (0.39) | CYP2D6CYP2C19HIF1A | |
| Ether SCHEMBL9377681 | 0.75 | FDPS (0.31) | — | |
| SCHEMBL7528777 | 0.75 | FDPS (0.31) | — | |
| SCHEMBL28156893 | 0.74 | FDPS (0.33) | — | |
| SCHEMBL20382398 | 0.73 | ALDH1A1 (0.47) | — | |
| Acrylic Acid SCHEMBL28624579 | 0.73 | LMNA (0.40) | — | |
| SCHEMBL6505412 | 0.72 | FDPS (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |