Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 12/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL414018 | 1.00 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6CHRNA7 | |
| SCHEMBL415193 | 0.87 | CYP2D6 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6CHRNA7 | |
| SCHEMBL415153 | 0.84 | CYP2D6 (0.62) | SLC6A2SLC6A4SLC6A3CYP2D6CHRNA7 | |
| SCHEMBL17707481 | 0.81 | CHRNA7 (0.43) | CHRNA7HTR3A | |
| SCHEMBL413703 | 0.80 | CYP2D6 (0.56) | SLC6A2SLC6A4SLC6A3CYP2D6CHRNA7 | |
| SCHEMBL414183 | 0.79 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CYP2D6CHRNA7 | |
| SCHEMBL414182 | 0.79 | CYP2D6 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6CHRNA7 | |
| SCHEMBL415192 | 0.79 | CYP2D6 (0.71) | SLC6A2SLC6A4SLC6A3CYP2D6CHRNA7 | |
| SCHEMBL15423304 | 0.78 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6CHRNA7 | |
| SCHEMBL413109 | 0.77 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CYP2D6 |
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-2102157-B1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-22 | — | — | EP | disclosed |