Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 14/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3167147 | 0.90 | HRH3 (0.50) | HRH3CYP2D6CHRNA7 | |
| SCHEMBL3165664 | 0.89 | HRH3 (0.49) | HRH3CYP2D6CHRNA7 | |
| SCHEMBL3543062 | 0.88 | HRH3 (0.66) | HRH3CYP2D6CHRNA7KMT2A | |
| SCHEMBL27739848 | 0.88 | HRH3 (0.48) | HRH3CYP2D6CHRNA7KMT2A | |
| SCHEMBL3543762 | 0.88 | HRH3 (0.48) | HRH3CYP2D6CHRNA7KMT2A | |
| SCHEMBL3160495 | 0.88 | CHRNA7 (0.54) | HRH3CYP2D6CHRNA7 | |
| SCHEMBL3160074 | 0.87 | HRH3 (0.52) | HRH3CYP2D6CHRNA7KMT2A | |
| SCHEMBL3160158 | 0.86 | HRH3 (0.47) | HRH3CYP2D6CHRNA7ADORA2AADORA1 | |
| SCHEMBL3160356 | 0.86 | ALDH1A1 (0.50) | HRH3CYP2D6CHRNA7KMT2A | |
| SCHEMBL3177575 | 0.85 | CHRNA7 (0.51) | HRH3CYP2D6CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101610998-A | 5-amido-(1H-indoles-2-yl)-piperazine-1-base-ketone derivatives as histamine H 3 receptor ligands | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | CN | disclosed |