Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | EBP | Q15125 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5754146 | 0.84 | HTR1A (0.51) | KDM1ACACNA1BHTR1AHTR7MEN1 | |
| SCHEMBL5754333 | 0.82 | CACNA1B (0.58) | CACNA1BHTR1AEBPSIGMAR1CCR3 | |
| SCHEMBL5750060 | 0.82 | CACNA1B (0.46) | CACNA1BRAB9AEBPSIGMAR1CCR3 | |
| SCHEMBL5754583 | 0.81 | CACNA1B (0.47) | CACNA1BRAB9AEBPSIGMAR1CCR3 | |
| SCHEMBL14431859 | 0.81 | CCR3 (0.54) | CACNA1BRAB9AHTR1AEBPSIGMAR1 | |
| SCHEMBL5752954 | 0.80 | MEN1 (0.53) | CACNA1BHTR7MEN1KMT2A | |
| SCHEMBL5751897 | 0.80 | CACNA1B (0.52) | CACNA1BEBPSIGMAR1CCR3MEN1 | |
| SCHEMBL14431854 | 0.80 | SIGMAR1 (0.51) | CACNA1BRAB9AHTR1AEBPSIGMAR1 | |
| SCHEMBL5754105 | 0.79 | MEN1 (0.59) | CACNA1BMEN1KMT2A | |
| SCHEMBL5749806 | 0.79 | CACNA1B (0.57) | CACNA1BMEN1CCR1KMT2A |
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 5 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-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 |