Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9435335 | 1.00 | CCR1 (0.46) | CCR1OPRM1GAAKDM4ECYP2D6 | |
| SCHEMBL9435529 | 0.90 | CYP2D6 (0.52) | GAAKDM4ECYP2D6GMNNTP53 | |
| SCHEMBL9435519 | 0.90 | CYP2D6 (0.52) | GAAKDM4ECYP2D6GMNNTP53 | |
| Benzene SCHEMBL9435651 | 0.81 | CYP2D6 (0.44) | OPRM1CYP2D6KDM1AOPRD1OPRL1 | |
| SCHEMBL9435756 | 0.80 | OPRM1 (0.48) | OPRM1CYP2D6GRIN1GRIN2BKDM1A | |
| SCHEMBL9435749 | 0.80 | OPRM1 (0.48) | OPRM1CYP2D6GRIN1GRIN2BKDM1A | |
| SCHEMBL9435662 | 0.78 | CYP2D6 (0.44) | CCR1OPRM1CYP2D6KDM1AOPRD1 | |
| SCHEMBL9435657 | 0.78 | CYP2D6 (0.44) | CCR1OPRM1CYP2D6KDM1AOPRD1 | |
| SCHEMBL9435497 | 0.78 | OPRM1 (0.71) | OPRM1KDM1AOPRL1 | |
| SCHEMBL9435333 | 0.78 | OPRM1 (0.71) | OPRM1KDM1AOPRL1 |
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 |