Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | HTR7 | P34969 | 8/20 | 0.45 |
| ▸ | HTR2A | P28223 | 4/20 | 0.45 |
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.41 |
| ▸ | CCR1 | P32246 | 2/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5749643 | 0.86 | POLB (0.46) | HTR1ADRD2DRD4ADRA1DADRA1A | |
| SCHEMBL5751414 | 0.84 | CCR1 (0.45) | DRD2DRD4DRD3SLC6A4CACNA1B | |
| SCHEMBL5753240 | 0.83 | SIGMAR1 (0.45) | HTR1ADRD2HTR7HTR2AHTR2C | |
| SCHEMBL5751451 | 0.81 | DRD2 (0.52) | HTR1ADRD2DRD4ADRA1DADRA1A | |
| SCHEMBL5752536 | 0.81 | CCR1 (0.41) | SLC6A4CACNA1BCCR1CACNA1G | |
| SCHEMBL14431859 | 0.81 | CCR3 (0.54) | HTR1ADRD2DRD3HTR2AKCNH2 | |
| SCHEMBL11932001 | 0.80 | SIGMAR1 (0.52) | SLC6A4KCNH2CCR1CACNA1G | |
| SCHEMBL21023241 | 0.80 | SIGMAR1 (0.52) | SLC6A4KCNH2CCR1CACNA1G | |
| SCHEMBL5751902 | 0.79 | SIGMAR1 (0.42) | CACNA1BCCR1CACNA1G | |
| SCHEMBL5752126 | 0.79 | SIGMAR1 (0.42) | CACNA1BCCR1CACNA1G |
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 6 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-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | 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 |