Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 11/20 | 0.90 |
| ▸ | EED | O75530 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MLNR | O43193 | 1/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HLA-A | P04439 | 1/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538063 | 0.95 | KCNH2 (1.00) | KCNH2EEDNPC1RAB9AGAA | |
| SCHEMBL9689809 | 0.88 | KCNH2 (0.72) | KCNH2RAB9AGAATP53MAPT | |
| SCHEMBL11266594 | 0.83 | KCNH2 (0.80) | KCNH2RAB9AGAATP53MAPT | |
| SCHEMBL1101038 | 0.81 | KCNH2 (0.77) | KCNH2SSTR5DNMT3A | |
| SCHEMBL9535712 | 0.81 | KCNH2 (0.75) | KCNH2EEDGAAMEN1MLNR | |
| SCHEMBL9691007 | 0.80 | KCNH2 (0.59) | KCNH2NPC1RAB9ADRD2DRD3 | |
| SCHEMBL9537150 | 0.78 | KCNH2 (0.68) | KCNH2NPC1RAB9AHTR1ADRD4 | |
| SCHEMBL7416758 | 0.76 | KCNH2 (0.65) | KCNH2SMN1; SMN2 | |
| SCHEMBL9689110 | 0.76 | KCNH2 (0.57) | KCNH2GAAMAPTL3MBTL1 | |
| SCHEMBL9690409 | 0.76 | KCNH2 (0.55) | KCNH2NPC1RAB9AGAAMEN1 |
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 2 patents. 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 |
| EP-0297661-A1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-04 | — | — | EP | disclosed |