Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 10/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.32 |
| ▸ | P2RY1 | P47900 | 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 | |
|---|---|---|---|---|
| SCHEMBL27659846 | 0.86 | SLC6A2 (0.41) | SLC6A4SLC6A2 | |
| SCHEMBL17169809 | 0.77 | NISCH (0.37) | NISCHP2RY1 | |
| SCHEMBL4081801 | 0.76 | SLC6A2 (0.48) | SLC6A4SLC6A2 | |
| SCHEMBL4411963 | 0.74 | SLC6A2 (0.66) | SLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL4091177 | 0.73 | SLC6A2 (0.67) | SLC6A4SLC6A2 | |
| SCHEMBL13228158 | 0.71 | NISCH (0.37) | NISCHP2RY1 | |
| SCHEMBL17175213 | 0.69 | NISCH (0.52) | NISCHP2RY1 | |
| SCHEMBL1963702 | 0.66 | MAPT (0.58) | HSD11B1SLC6A4SLC6A2 | |
| SCHEMBL10648183 | 0.66 | OPRM1 (0.49) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL13209385 | 0.65 | P2RY1 (0.40) | NISCHP2RY1 |
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-1960973-A | 1-(1h-indol-1-yl)-3-(4-methylpiperazin-1-yl)-1-phenyl propan-2-ol derivatives and related compounds as modulators of the norepinephrine(NE) and the serotonine(5-HT) activity and the monoamine reuptake | WYETH CORP (US) | 2007-05-09 | — | — | CN | disclosed |