Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 6/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9690626 | 0.99 | CHEK1 (0.51) | CHEK1HDAC6KCNN3KCNH2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9691095 | 0.99 | CHEK1 (0.51) | CHEK1HDAC6KCNN3KCNH2SMN1; SMN2 | |
| SCHEMBL382481 | 0.91 | JAK1 (0.54) | CHEK1HDAC6KCNN3KCNH2SMN1; SMN2 | |
| Bromide SCHEMBL3874715 | 0.90 | JAK1 (0.53) | CHEK1HDAC6KCNN3KCNH2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8130344 | 0.90 | JAK1 (0.53) | CHEK1HDAC6KCNN3KCNH2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5007369 | 0.90 | JAK1 (0.53) | CHEK1HDAC6KCNN3KCNH2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9691036 | 0.85 | NPC1 (0.50) | HDAC6KCNN3KCNH2SMN1; SMN2JAK1 | |
| SCHEMBL28406604 | 0.84 | HDAC6 (0.57) | HDAC6KCNN3KCNH2SMN1; SMN2 | |
| SCHEMBL27898220 | 0.81 | RIPK1 (0.62) | HDAC6KCNN3SMN1; SMN2 | |
| SCHEMBL14155576 | 0.80 | RIPK1 (0.65) | HDAC6KCNN3SMN1; SMN2 |
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 |