Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.52 |
| ▸ | SSTR5 | P35346 | 5/20 | 0.47 |
| ▸ | EED | O75530 | 2/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HLA-A | P04439 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9630508 | 0.93 | KCNH2 (0.48) | KCNH2SSTR5EEDNR4A2MEN1 | |
| SCHEMBL9630331 | 0.91 | KCNH2 (0.54) | KCNH2SSTR5EEDNR4A2MEN1 | |
| SCHEMBL9631586 | 0.87 | KCNH2 (0.50) | KCNH2SSTR5EEDNR4A2MEN1 | |
| SCHEMBL9629231 | 0.84 | EED (0.47) | KCNH2SSTR5EEDNR4A2MEN1 | |
| SCHEMBL9687001 | 0.82 | KCNH2 (0.50) | KCNH2SSTR5EEDNR4A2MEN1 | |
| Water SCHEMBL9698422 | 0.81 | KCNH2 (0.58) | KCNH2SSTR5EEDNR4A2MEN1 | |
| SCHEMBL9631552 | 0.81 | SSTR5 (0.72) | KCNH2SSTR5EEDNR4A2MEN1 | |
| SCHEMBL9631274 | 0.80 | KCNH2 (0.42) | KCNH2SSTR5EEDNR4A2DRD4 | |
| SCHEMBL9629256 | 0.79 | KCNH2 (0.46) | KCNH2SSTR5EEDNR4A2MEN1 | |
| Bromide SCHEMBL9698321 | 0.79 | KCNH2 (0.61) | KCNH2SSTR5NR4A2LMNAGAA |
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 |