Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 11/20 | 0.47 |
| ▸ | CTSK | P43235 | 10/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8582254 | 0.87 | CYP2D6 (0.42) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL343678 | 0.86 | CYP2D6 (0.55) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL3682214 | 0.86 | CYP2D6 (0.55) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL343679 | 0.86 | CYP2D6 (0.55) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL5270143 | 0.83 | CTSK (0.60) | CTSSCTSKCTSLCTSBCYP1A2 | |
| SCHEMBL2313669 | 0.83 | CTSK (0.60) | CTSSCTSKCTSLCTSBCYP1A2 | |
| SCHEMBL8542752 | 0.83 | CTSK (0.60) | CTSSCTSKCTSLCTSBCYP1A2 | |
| SCHEMBL8577814 | 0.81 | CYP2D6 (0.54) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL168412 | 0.81 | CYP2D6 (0.54) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL15075041 | 0.81 | CYP2D6 (0.54) | CYP2D6CTSSCTSKCTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| US-5705527-A | VASODILATORS AND ANGINA PECTORIS | SANKYO COMPANY, LIMITED (JP) | 1998-01-06 | — | — | US | disclosed |
| EP-0641769-B1 | AMINO ACID DERIVATIVE | SANKYO CO (JP) | 1997-01-29 | — | — | EP | disclosed |
| EP-0641769-A1 | AMINO ACID DERIVATIVE | SANKYO COMPANY LIMITED (JP) | 1995-03-08 | — | — | EP | disclosed |