Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 7/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7357672 | 0.77 | CCR1 (0.40) | KCNA3CHRM3CHRM2CHRM1CYP2D6 | |
| SCHEMBL22704292 | 0.69 | NPC1 (0.40) | CHRM3CHRM2CHRM1CYP2D6DRD2 | |
| SCHEMBL5755493 | 0.68 | DRD2 (0.37) | KCNA3CYP2D6DRD2DRD4OPRM1 | |
| SCHEMBL10586611 | 0.66 | ATM (0.50) | KCNA3CHRM1CYP2D6DRD2DRD4 | |
| SCHEMBL4424637 | 0.66 | MEN1 (0.40) | DRD2DRD4OPRM1DRD3RAB9A | |
| SCHEMBL9154728 | 0.64 | — | — | |
| SCHEMBL5231376 | 0.62 | TSHR (0.39) | KCNA3CYP2D6RAB9AMEN1KMT2A | |
| SCHEMBL8651461 | 0.62 | NPC1 (0.45) | CHRM3CHRM2CHRM1CYP2D6OPRM1 | |
| SCHEMBL7428125 | 0.62 | DRD4 (0.47) | DRD2DRD4DRD3SLC6A2MEN1 | |
| SCHEMBL28272235 | 0.61 | TSHR (0.34) | KCNA3CYP2D6DRD2DRD4OPRM1 |
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 4 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 |
| CN-1310709-A | N, N-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2001-08-29 | — | — | CN | disclosed |
| EP-1099692-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | disclosed |