Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 18/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL3250572 | 0.90 | HRH3 (0.55) | HRH3CYP2D6IKBKB | |
| SCHEMBL3248817 | 0.88 | HRH3 (0.54) | HRH3CYP2D6IKBKB | |
| SCHEMBL3246548 | 0.86 | HRH3 (0.52) | HRH3CYP2D6IKBKB | |
| SCHEMBL1552151 | 0.86 | HRH3 (0.55) | HRH3CYP2D6IKBKB | |
| SCHEMBL3240758 | 0.86 | HRH3 (0.51) | HRH3CYP2D6IKBKB | |
| SCHEMBL3250410 | 0.86 | HRH3 (0.51) | HRH3CYP2D6 | |
| SCHEMBL3244361 | 0.86 | HRH3 (0.51) | HRH3CYP2D6IKBKB | |
| SCHEMBL3248249 | 0.84 | HRH3 (0.50) | HRH3CYP2D6 | |
| SCHEMBL3241037 | 0.84 | HRH3 (0.50) | HRH3CYP2D6 | |
| SCHEMBL3252300 | 0.84 | HRH3 (0.51) | HRH3CYP2D6IKBKB |
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-2118089-B1 | INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-05-12 | — | — | EP | disclosed |