Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | P2RY10 | O00398 | 1/20 | 0.40 |
| ▸ | PLA2G4B | P0C869 | 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 | |
|---|---|---|---|---|
| SCHEMBL10808995 | 0.94 | CYP2D6 (0.45) | CYP2D6KCNH2CNR1CNR2PPARG | |
| SCHEMBL10809036 | 0.92 | CYP2D6 (0.46) | CYP2D6KCNH2CNR1CNR2PPARG | |
| SCHEMBL10804916 | 0.91 | CYP2D6 (0.43) | CYP2D6KCNH2CNR1CNR2PPARG | |
| SCHEMBL10807540 | 0.89 | TLR2 (0.42) | P2RY10 | |
| SCHEMBL10808082 | 0.89 | CYP2D6 (0.46) | CYP2D6KCNH2CNR1CNR2PPARG | |
| SCHEMBL10805770 | 0.87 | CYP2D6 (0.42) | CYP2D6KCNH2CNR1CNR2PLA2G4B | |
| SCHEMBL10808456 | 0.87 | CYP2D6 (0.46) | CYP2D6KCNH2CNR1CNR2PPARG | |
| SCHEMBL10803647 | 0.85 | CYP2D6 (0.42) | CYP2D6KCNH2CNR1CNR2PLA2G4B | |
| SCHEMBL10809425 | 0.85 | S1PR1 (0.42) | CNR1CNR2 | |
| SCHEMBL10806707 | 0.84 | THRA (0.46) | CYP2D6KCNH2CNR1CNR2PPARG |
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 |
|---|---|---|---|---|---|---|---|
| US-4640913-A | Phosphocholine derivatives having antihypertensive action | AMERICAN CYANAMID COMPANY (US) | 1987-02-03 | — | — | US | disclosed |