Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | LTA4H | P09960 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | EBP | Q15125 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9689809 | 0.84 | KCNH2 (0.72) | KCNH2RAB9A | |
| SCHEMBL9689872 | 0.80 | KCNH2 (0.90) | KCNH2NPC1RAB9ADRD3DRD2 | |
| SCHEMBL9690409 | 0.79 | KCNH2 (0.55) | KCNH2NPC1RAB9A | |
| SCHEMBL11266594 | 0.78 | KCNH2 (0.80) | KCNH2RAB9ASIGMAR1 | |
| SCHEMBL9538786 | 0.78 | KCNH2 (0.65) | KCNH2LTA4HACHE | |
| SCHEMBL9689110 | 0.77 | KCNH2 (0.57) | KCNH2 | |
| SCHEMBL3748349 | 0.75 | KCNH2 (0.63) | KCNH2RAB9AACHE | |
| SCHEMBL9698375 | 0.75 | KCNH2 (0.66) | KCNH2 | |
| SCHEMBL7416758 | 0.75 | KCNH2 (0.65) | KCNH2ACHE | |
| SCHEMBL8562586 | 0.74 | KCNH2 (0.65) | KCNH2NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0297661-B1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |