Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 3/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 4/20 | 0.37 |
| ▸ | JAK3 | P52333 | 4/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.37 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9534992 | 0.92 | CDC7 (0.54) | CDC7DBF4RETKCNH2DYRK1A | |
| Hydrochloric Acid SCHEMBL9535340 | 0.91 | CDC7 (0.53) | CDC7DBF4RETKCNH2DYRK1A | |
| SCHEMBL27505138 | 0.78 | JAK3 (0.43) | CDC7DBF4KCNH2HRH4HRH3 | |
| SCHEMBL9044459 | 0.77 | PTPN11 (0.48) | CDC7DBF4HRH3BRD4ATAD2 | |
| SCHEMBL8135558 | 0.76 | KCNH2 (0.45) | CDC7DBF4RETKCNH2HRH3 | |
| SCHEMBL9687566 | 0.76 | KCNH2 (0.42) | CDC7DBF4KCNH2 | |
| Hydrochloric Acid SCHEMBL9535454 | 0.75 | KCNH2 (0.51) | CDC7DBF4KCNH2HRH3 | |
| SCHEMBL5054675 | 0.75 | NOS2 (0.62) | JAK2JAK3 | |
| SCHEMBL9689165 | 0.75 | MKNK1 (0.45) | CHEK2BRD4ATAD2 | |
| SCHEMBL9535712 | 0.74 | KCNH2 (0.75) | KCNH2HRH4HRH3 |
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 |