Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.41 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL10804723 | 0.98 | CYP2D6 (0.43) | CYP2D6KDM4EALDH1A1NSD2SMN1; SMN2 | |
| SCHEMBL10810430 | 0.95 | CYP2D6 (0.43) | CYP2D6KCNH2PLA2G4BGGPS1SMPD1 | |
| SCHEMBL10805770 | 0.92 | CYP2D6 (0.42) | CYP2D6KDM4EALDH1A1NSD2SMN1; SMN2 | |
| SCHEMBL10811357 | 0.89 | S1PR2 (0.42) | PLA2G4B | |
| SCHEMBL10811405 | 0.88 | CYP2D6 (0.43) | CYP2D6KDM4EALDH1A1NSD2SMN1; SMN2 | |
| SCHEMBL10804916 | 0.88 | CYP2D6 (0.43) | CYP2D6KCNH2PLA2G4BGGPS1SMPD1 | |
| SCHEMBL10809261 | 0.88 | THRA (0.46) | CYP2D6KDM4EALDH1A1SMN1; SMN2KCNH2 | |
| SCHEMBL10812512 | 0.88 | THRA (0.46) | CYP2D6KDM4EALDH1A1SMN1; SMN2KCNH2 | |
| SCHEMBL10809299 | 0.87 | S1PR2 (0.42) | PLA2G4BL3MBTL1 | |
| SCHEMBL10814041 | 0.87 | S1PR2 (0.42) | PLA2G4BL3MBTL1 |
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 |