Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | WHR1 | P49842 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.44 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11647867 | 0.83 | KCNH2 (0.52) | KCNH2NSD2WHR1HDAC6KCNN3 | |
| SCHEMBL8560605 | 0.80 | KCNH2 (0.61) | KCNH2HDAC6KCNN3SMN1; SMN2 | |
| Water SCHEMBL8562628 | 0.80 | KCNH2 (0.61) | KCNH2HDAC6KCNN3SMN1; SMN2 | |
| Water SCHEMBL8566156 | 0.80 | KCNH2 (0.61) | KCNH2HDAC6KCNN3SMN1; SMN2 | |
| Isopropyl Alcohol SCHEMBL8628484 | 0.80 | KCNH2 (0.56) | KCNH2ADORA2AADORA1HDAC6KCNN3 | |
| Hydrochloric Acid SCHEMBL8564807 | 0.79 | KCNH2 (0.60) | KCNH2HDAC6KCNN3SMN1; SMN2 | |
| SCHEMBL28406604 | 0.78 | HDAC6 (0.57) | KCNH2HDAC6KCNN3SMN1; SMN2 | |
| SCHEMBL12548260 | 0.78 | KCNH2 (0.57) | KCNH2HDAC6KCNN3SMN1; SMN2 | |
| SCHEMBL7416758 | 0.77 | KCNH2 (0.65) | KCNH2HDAC6KCNN3SMN1; SMN2BCHE | |
| SCHEMBL9690986 | 0.77 | SMN1; SMN2 (0.51) | KCNH2ADORA2ASMN1; 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 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 |