Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.50 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 10/20 | 0.41 |
| ▸ | TTK | P33981 | 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 | |
|---|---|---|---|---|
| SCHEMBL10002829 | 0.92 | SMO (0.53) | SMOALKPTK2 | |
| SCHEMBL10003416 | 0.87 | SMO (0.56) | SMO | |
| SCHEMBL16588412 | 0.86 | SMO (0.42) | SMOALKPTK2TTK | |
| SCHEMBL10003793 | 0.85 | SMO (0.49) | SMO | |
| SCHEMBL10003095 | 0.84 | SMO (0.56) | SMOALKPTK2 | |
| SCHEMBL10003258 | 0.83 | SMO (0.53) | SMOPTK2 | |
| SCHEMBL10002860 | 0.83 | SMO (0.56) | SMOALK | |
| SCHEMBL10003712 | 0.82 | SMO (0.49) | SMOPTK2 | |
| SCHEMBL10003070 | 0.81 | SMO (0.49) | SMOALK | |
| SCHEMBL10003592 | 0.81 | SMO (0.59) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2471789-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-09-17 | — | — | EP | disclosed |