Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20043231 | 0.93 | CYP2D6 (0.34) | CYP2D6KCNH2HRH3 | |
| SCHEMBL19197834 | 0.93 | EPHX1 (0.33) | CYP2D6KCNH2HRH3EPHX1HTT | |
| SCHEMBL2732106 | 0.93 | CYP2D6 (0.34) | CYP2D6KCNH2HRH3 | |
| SCHEMBL20685173 | 0.91 | EPHX1 (0.36) | CYP2D6KCNH2HRH3EPHX1HTT | |
| SCHEMBL18460259 | 0.91 | EPHX1 (0.36) | CYP2D6KCNH2HRH3EPHX1HTT | |
| SCHEMBL18531920 | 0.89 | CYP2D6 (0.32) | CYP2D6KCNH2HRH3EPHX1HTT | |
| SCHEMBL2706991 | 0.89 | CYP2D6 (0.38) | CYP2D6KCNH2HRH3HTT | |
| SCHEMBL21969664 | 0.83 | — | — | |
| SCHEMBL17545823 | 0.83 | — | — | |
| SCHEMBL24347883 | 0.80 | CYP2D6 (0.34) | CYP2D6KCNH2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3131896-B1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2019-01-30 | — | — | EP | disclosed |