Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9435749 | 1.00 | OPRM1 (0.48) | OPRM1GRIN2DGRIN3BADRA1DADRA1A | |
| Benzene SCHEMBL9435651 | 0.88 | CYP2D6 (0.44) | OPRM1ADRA1DADRA1AADRA1BCYP2D6 | |
| SCHEMBL8196927 | 0.86 | OPRM1 (0.64) | OPRM1GRIN2DGRIN3BADRA1DADRA1A | |
| SCHEMBL9435647 | 0.84 | MAPT (0.44) | OPRM1ADRA1DADRA1AADRA1BCYP2D6 | |
| SCHEMBL9435493 | 0.84 | L3MBTL1 (0.56) | CYP2D6MEN1KMT2A | |
| SCHEMBL9435641 | 0.84 | MAPT (0.44) | OPRM1ADRA1DADRA1AADRA1BCYP2D6 | |
| SCHEMBL9435486 | 0.84 | L3MBTL1 (0.56) | CYP2D6MEN1KMT2A | |
| SCHEMBL9435497 | 0.83 | OPRM1 (0.71) | OPRM1KDM1A | |
| SCHEMBL9435333 | 0.83 | OPRM1 (0.71) | OPRM1KDM1A | |
| SCHEMBL9435662 | 0.81 | CYP2D6 (0.44) | OPRM1ADRA1DADRA1AADRA1BCYP2D6 |
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 |