Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1151915 | 0.94 | KCNH2 (0.59) | KCNH2TSHRCHRNA7PDE10ADRD4 | |
| SCHEMBL8135558 | 0.82 | KCNH2 (0.45) | KCNH2TSHR | |
| SCHEMBL9689809 | 0.81 | KCNH2 (0.72) | KCNH2TSHRCHRNA7GAARAB9A | |
| SCHEMBL9691007 | 0.79 | KCNH2 (0.59) | KCNH2NPC1RAB9A | |
| SCHEMBL10508648 | 0.79 | KCNH2 (0.55) | KCNH2TSHRCHRNA7PDE10ADRD4 | |
| SCHEMBL8562586 | 0.79 | KCNH2 (0.65) | KCNH2TSHRCHRNA7PDE10ADRD4 | |
| SCHEMBL9689110 | 0.77 | KCNH2 (0.57) | KCNH2TSHRCHRNA7GAA | |
| SCHEMBL10749867 | 0.77 | KCNH2 (0.59) | KCNH2TSHRCHRNA7KDM4EGAA | |
| Water SCHEMBL11093961 | 0.76 | CXCR3 (0.51) | KCNH2TSHRCHRNA7DRD4KDM4E | |
| SCHEMBL11266594 | 0.76 | KCNH2 (0.80) | KCNH2TSHRCHRNA7GAARAB9A |
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 |