Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 18/20 | 0.42 |
| ▸ | DRD3 | P35462 | 18/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5750740 | 0.92 | PRKCQ (0.38) | CHRNB2CHRNA4DRD2DRD3 | |
| SCHEMBL5752531 | 0.91 | CYP2D6 (0.46) | DRD2DRD3 | |
| SCHEMBL5753667 | 0.90 | LTA4H (0.39) | DRD3 | |
| SCHEMBL5754338 | 0.90 | TDP1 (0.42) | — | |
| SCHEMBL5754590 | 0.87 | IDH1 (0.35) | DRD2DRD3 | |
| SCHEMBL5755222 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL5753861 | 0.86 | HRH1 (0.40) | DRD2DRD3 | |
| SCHEMBL5754108 | 0.86 | LTA4H (0.42) | — | |
| SCHEMBL5752311 | 0.86 | KDM4E (0.41) | — | |
| SCHEMBL5753356 | 0.86 | HTR1A (0.36) | DRD2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1099692-B1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | claimed |
| US-6737425-B1 | SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS | EISAI CO., LTD. (JP) | 2004-05-18 | — | — | US | claimed |
| EP-1099692-B1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-6737425-B1 | SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS | EISAI CO., LTD. (JP) | 2004-05-18 | — | — | US | disclosed |
| EP-1099692-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | disclosed |