Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.79 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.79 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.79 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.79 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.79 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.79 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.79 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.79 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.79 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.67 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.67 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL7327591 | 1.00 | CYP2D6 (0.79) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7327597 | 1.00 | CYP2D6 (0.79) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7330238 | 0.90 | CYP2D6 (0.84) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7330243 | 0.90 | CYP2D6 (0.84) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| SCHEMBL8601661 | 0.90 | CYP2D6 (0.84) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7330890 | 0.88 | CYP2D6 (0.77) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7330874 | 0.88 | CYP2D6 (0.77) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| Traxoprodil SCHEMBL5888841 | 0.88 | GRIN2B (1.00) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| Traxoprodil SCHEMBL6702711 | 0.88 | GRIN2B (1.00) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 | |
| SCHEMBL8497418 | 0.88 | KCNH2 (0.81) | CYP2D6GRIN2BGRIN2DGRIN3BGRIN1 |
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-5710168-A | 2-piperidino-1-alkanol derivatives as neuroprotective agents | PFIZER INC. (US) | 1998-01-20 | — | — | US | disclosed |