Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9435662 | 1.00 | CYP2D6 (0.44) | CYP2D6OPRD1KDM1AOPRM1CHRM4 | |
| Benzene SCHEMBL9435651 | 0.82 | CYP2D6 (0.44) | CYP2D6OPRD1KDM1AOPRM1CHRM4 | |
| SCHEMBL9435749 | 0.81 | OPRM1 (0.48) | CYP2D6OPRD1KDM1AOPRM1ADRA1D | |
| SCHEMBL9435756 | 0.81 | OPRM1 (0.48) | CYP2D6OPRD1KDM1AOPRM1ADRA1D | |
| SCHEMBL9435519 | 0.78 | CYP2D6 (0.52) | CYP2D6 | |
| SCHEMBL9435641 | 0.78 | MAPT (0.44) | CYP2D6OPRD1KDM1AOPRM1CHRM4 | |
| SCHEMBL9435340 | 0.78 | CCR1 (0.46) | CYP2D6OPRD1KDM1AOPRM1CCR1 | |
| SCHEMBL9435335 | 0.78 | CCR1 (0.46) | CYP2D6OPRD1KDM1AOPRM1CCR1 | |
| SCHEMBL9435647 | 0.78 | MAPT (0.44) | CYP2D6OPRD1KDM1AOPRM1CHRM4 | |
| SCHEMBL9435493 | 0.78 | L3MBTL1 (0.56) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5371088-A | 1-aryl-4-piperazinylcyclohexanecarbonitriles, the preparation and use thereof | BASF AKTIENGESELLSCHAFT (DE) | 1994-12-06 | — | — | US | disclosed |