Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KHK | P50053 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | BPTF | Q12830 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7672095 | 0.84 | SIGMAR1 (0.53) | SIGMAR1SLC6A4CA1CA2CA9 | |
| SCHEMBL8304884 | 0.81 | CYP3A4 (0.63) | SIGMAR1KCNH2CA1CA2CA9 | |
| SCHEMBL8245902 | 0.81 | ALDH1A1 (0.51) | SIGMAR1LMNAKMT2AKDM4EMEN1 | |
| SCHEMBL8245365 | 0.79 | KMT2A (0.65) | SIGMAR1LMNAKMT2AKDM4EMEN1 | |
| SCHEMBL27914058 | 0.79 | CYP3A4 (0.68) | SIGMAR1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL8957667 | 0.78 | SIGMAR1 (0.57) | SIGMAR1SLC6A2SLC6A4KCNH2SLC6A3 | |
| Hydrochloric Acid SCHEMBL2231641 | 0.77 | CXCR4 (0.50) | SIGMAR1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL9197011 | 0.75 | CD274 (0.66) | — | |
| SCHEMBL5755070 | 0.75 | SIGMAR1 (0.46) | SIGMAR1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL5754633 | 0.75 | ALDH1A1 (0.72) | CYP3A4CYP2D6LMNAKMT2AKDM4E |
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 |