Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 7/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9106114 | 0.89 | SMO (0.41) | SMOOPRK1CYP2D6OPRM1OPRD1 | |
| SCHEMBL9106105 | 0.89 | SMO (0.41) | SMOOPRK1CYP2D6OPRM1OPRD1 | |
| SCHEMBL9275116 | 0.86 | SLC6A2 (0.46) | OPRK1CYP2D6OPRM1OPRD1 | |
| SCHEMBL9274779 | 0.83 | HRH3 (0.44) | OPRK1CYP2D6OPRM1OPRD1CCR5 | |
| SCHEMBL9275036 | 0.77 | OPRK1 (0.45) | OPRK1CYP2D6OPRM1OPRD1 | |
| SCHEMBL9275957 | 0.75 | HRH3 (0.44) | OPRK1CYP2D6OPRM1OPRD1 | |
| SCHEMBL9105737 | 0.74 | SLC6A2 (0.43) | OPRK1CYP2D6OPRM1OPRD1 | |
| SCHEMBL9105729 | 0.74 | SLC6A2 (0.43) | OPRK1CYP2D6OPRM1OPRD1 | |
| SCHEMBL9100701 | 0.74 | ESR1 (0.47) | SMOOPRK1 | |
| SCHEMBL9100707 | 0.74 | ESR1 (0.47) | SMOOPRK1 |
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-2012074469-A1 | NEW IKACH BLOCKERS | ASTRAZENECA AB (SE) | 2012-06-07 | — | — | WO | disclosed |