Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.42 |
| ▸ | CTSK | P43235 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 6/20 | 0.41 |
| ▸ | PPARG | P37231 | 5/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21994715 | 0.88 | CTSK (0.43) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL26119172 | 0.88 | CTSK (0.47) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL26119175 | 0.88 | CTSK (0.47) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL21994717 | 0.88 | CTSK (0.43) | CTSSCTSKCA1CA2CA7 | |
| SCHEMBL26121197 | 0.87 | CTSK (0.46) | CTSSCTSKPPARAPPARGCTSL | |
| SCHEMBL2748877 | 0.87 | CTSK (0.46) | CTSSCTSKPPARAPPARGCTSL | |
| SCHEMBL5142788 | 0.86 | CTSK (0.45) | CTSSCTSKPPARAPPARGCTSL | |
| SCHEMBL5354771 | 0.84 | ALDH1A1 (0.48) | CTSSCTSKPPARAPPARGCTSL | |
| SCHEMBL4360723 | 0.84 | ALDH1A1 (0.48) | CTSSCTSKPPARAPPARGCTSL | |
| SCHEMBL5142965 | 0.83 | ALDH1A1 (0.47) | CTSSCTSKPPARAPPARGCTSL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010091104-A1 | GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | EXELIXIS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |