Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 4/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9341630 | 0.80 | DRD2 (0.51) | KCNH2LTA4H | |
| SCHEMBL9341602 | 0.78 | DRD2 (0.54) | — | |
| SCHEMBL19838628 | 0.76 | HTR2A (0.41) | KCNH2HTR1A | |
| SCHEMBL19852004 | 0.76 | KCNH2 (0.55) | KCNH2HTR1A | |
| Hydrochloric Acid SCHEMBL19838581 | 0.76 | HTR2A (0.41) | KCNH2HTR1A | |
| SCHEMBL9341599 | 0.75 | DRD2 (0.47) | — | |
| SCHEMBL29961247 | 0.75 | ITGB2 (0.41) | KCNH2HTR1A | |
| SCHEMBL3585379 | 0.75 | ITGB2 (0.41) | KCNH2HTR1A | |
| SCHEMBL19839231 | 0.75 | CARM1 (0.48) | KCNH2 | |
| Hydrochloric Acid SCHEMBL9341600 | 0.74 | DRD2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |