Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.62 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | CCR2 | P41597 | 1/20 | 0.54 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.50 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2549429 | 0.93 | KCNH2 (0.71) | KCNH2SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5410232 | 0.92 | KCNH2 (0.69) | KCNH2SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL2548737 | 0.92 | KCNH2 (0.69) | KCNH2SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL23377845 | 0.84 | HRH3 (0.62) | KCNH2SLC6A3SIGMAR1HRH3TDP1 | |
| SCHEMBL23377646 | 0.84 | HRH3 (0.68) | KCNH2SLC6A3SIGMAR1HRH3TDP1 | |
| SCHEMBL22254774 | 0.84 | HRH3 (0.72) | KCNH2SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL2003768 | 0.83 | CXCR4 (0.77) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL8668531 | 0.83 | SLC6A3 (0.70) | KCNH2SLC6A4SLC6A3SIGMAR1CXCR4 | |
| SCHEMBL5754907 | 0.83 | SIGMAR1 (0.70) | KCNH2SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL9397186 | 0.83 | SIGMAR1 (0.58) | KCNH2SLC6A4SLC6A2SLC6A3SIGMAR1 |
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 |