Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | MPO | P05164 | 2/20 | 0.53 |
| ▸ | KDM5A | P29375 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | OGG1 | O15527 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18068446 | 0.84 | CA1 (0.66) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL16193119 | 0.84 | CA1 (0.66) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL2636457 | 0.81 | PLK1 (0.73) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL21434732 | 0.80 | ALDH1A1 (0.62) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL27916544 | 0.80 | PARP10 (0.66) | CA1CA2ALDH1A1 | |
| SCHEMBL4176758 | 0.79 | CA1 (0.70) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL9625898 | 0.79 | CA1 (0.59) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL4412023 | 0.79 | ALDH1A1 (0.68) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL19168934 | 0.79 | CA1 (0.59) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL11764350 | 0.79 | NPC1 (0.69) | ALDH1A1MAPK1L3MBTL1NPC1 |
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 |