Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 3/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.45 |
| ▸ | PRKCZ | Q05513 | 5/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CDK7 | P50613 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | MARK3 | P27448 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9686365 | 0.95 | RIPK1 (0.43) | PIM1RIPK1CDK2CDK7CDK9 | |
| Hydrochloric Acid SCHEMBL9691036 | 0.82 | NPC1 (0.50) | PIM1RIPK1CHEK2 | |
| SCHEMBL9690333 | 0.79 | PIM1 (0.50) | PIM1RIPK1CDK2CDK7CDK9 | |
| Hydrochloric Acid SCHEMBL9688940 | 0.78 | PIM1 (0.48) | PIM1RIPK1ROCK1ROCK2CLK4 | |
| SCHEMBL9535416 | 0.78 | PIM1 (0.48) | PIM1RIPK1PRKCZCDC7CLK4 | |
| Hydrochloric Acid SCHEMBL9689129 | 0.77 | PIM1 (0.47) | PIM1RIPK1PRKCZCDC7CLK4 | |
| SCHEMBL382481 | 0.76 | JAK1 (0.54) | RIPK1 | |
| Water SCHEMBL9602231 | 0.76 | PIM1 (0.43) | PIM1RIPK1ROCK1ROCK2CLK4 | |
| Hydrochloric Acid SCHEMBL8130344 | 0.75 | JAK1 (0.53) | RIPK1 | |
| Bromide SCHEMBL3874715 | 0.75 | JAK1 (0.53) | RIPK1 |
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 |