Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 9/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 9/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 7/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5753559 | 0.83 | CHRM2 (0.46) | CCR1MEN1CHRM2CHRM1CHRM3 | |
| SCHEMBL9665195 | 0.79 | CCR1 (0.48) | KEAP1NFE2L2CCR1MEN1KIF11 | |
| SCHEMBL13123944 | 0.79 | CCR1 (0.48) | KEAP1NFE2L2CCR1MEN1KIF11 | |
| SCHEMBL5751962 | 0.78 | CCR1 (0.46) | KEAP1NFE2L2CCR1MEN1KIF11 | |
| SCHEMBL9667151 | 0.77 | CCR1 (0.47) | KEAP1NFE2L2CCR1MEN1CHRM2 | |
| SCHEMBL2762931 | 0.76 | CHRM2 (0.56) | KEAP1NFE2L2MEN1KIF11CHRM2 | |
| SCHEMBL27763599 | 0.75 | KEAP1 (0.50) | KEAP1NFE2L2KIF11CHRM2CHRM1 | |
| SCHEMBL8922034 | 0.75 | CYP2C19 (0.51) | KEAP1NFE2L2KIF11CHRM2CHRM1 | |
| SCHEMBL29279096 | 0.75 | KEAP1 (0.54) | KEAP1NFE2L2KIF11CHRM2CHRM1 | |
| SCHEMBL11161473 | 0.74 | KEAP1 (0.57) | KEAP1NFE2L2MEN1CHRM2CHRM1 |
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 3 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 | 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 |