Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 3/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 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 | |
|---|---|---|---|---|
| SCHEMBL2221259 | 0.88 | HRH3 (0.47) | SMOADRA1AHRH3KDM4EACACB | |
| SCHEMBL24033384 | 0.85 | SMO (0.48) | SMOADRA1AKDM4E | |
| SCHEMBL30181756 | 0.83 | SMO (0.49) | SMO | |
| SCHEMBL24817638 | 0.83 | SMO (0.49) | SMO | |
| SCHEMBL24033331 | 0.82 | OPRK1 (0.50) | SMO | |
| SCHEMBL26712558 | 0.82 | SMO (0.48) | SMOHRH3KDM4E | |
| SCHEMBL26712490 | 0.82 | SMO (0.44) | SMO | |
| SCHEMBL24033271 | 0.81 | OPRK1 (0.49) | SMOADRA1AHRH3 | |
| SCHEMBL2224165 | 0.81 | HRH3 (0.60) | ADRA1AHRH3ACACB | |
| SCHEMBL30181834 | 0.80 | OPRK1 (0.47) | SMO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |