Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 4/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 7/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 3/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31456281 | 0.82 | CTSK (0.53) | CASP1ITGB3ITGA2BCTSKPPARA | |
| SCHEMBL26125185 | 0.82 | CTSK (0.50) | CASP1ITGB3ITGA2BCTSKPPARA | |
| SCHEMBL26125188 | 0.82 | CTSK (0.50) | CASP1ITGB3ITGA2BCTSKPPARA | |
| SCHEMBL26128709 | 0.82 | CTSK (0.53) | CASP1ITGB3ITGA2BCTSKPPARA | |
| SCHEMBL25178683 | 0.82 | CTSK (0.53) | CASP1ITGB3ITGA2BCTSKPPARA | |
| SCHEMBL25186346 | 0.82 | HRH1 (0.52) | CASP1ITGB3ITGA2BCTSKPPARA | |
| SCHEMBL29059451 | 0.82 | HRH1 (0.52) | CASP1ITGB3ITGA2BCTSKPPARA | |
| SCHEMBL14561013 | 0.82 | SYK (0.53) | CYP1A2CASP1CTSKCTSSCTSB | |
| SCHEMBL8985130 | 0.81 | EPHX2 (0.44) | ITGB3ITGA2B | |
| SCHEMBL7925815 | 0.80 | TNF (0.46) | CYP1A2IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |