Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 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 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9435647 | 1.00 | MAPT (0.44) | MAPTCYP2D6KDM1AOPRM1OPRD1 | |
| Benzene SCHEMBL9435651 | 0.85 | CYP2D6 (0.44) | CYP2D6KDM1AOPRM1OPRD1OPRL1 | |
| SCHEMBL9435749 | 0.84 | OPRM1 (0.48) | CYP2D6KDM1AOPRM1OPRD1ADRA1D | |
| SCHEMBL9435756 | 0.84 | OPRM1 (0.48) | CYP2D6KDM1AOPRM1OPRD1ADRA1D | |
| SCHEMBL9435486 | 0.82 | L3MBTL1 (0.56) | CYP2D6MEN1KMT2A | |
| SCHEMBL9435493 | 0.82 | L3MBTL1 (0.56) | CYP2D6MEN1KMT2A | |
| SCHEMBL9435662 | 0.78 | CYP2D6 (0.44) | CYP2D6KDM1AOPRM1OPRD1CA12 | |
| SCHEMBL9435657 | 0.78 | CYP2D6 (0.44) | CYP2D6KDM1AOPRM1OPRD1CA12 | |
| SCHEMBL9098349 | 0.78 | TSHR (0.52) | MAPTCYP2D6MEN1KMT2A | |
| SCHEMBL9435760 | 0.78 | HTR1A (0.48) | MAPTMEN1KMT2A |
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 |