Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 4/20 | 0.37 |
| ▸ | PARG | Q86W56 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10316142 | 0.92 | SMO (0.46) | SMOCNR2PARGALDH1A1 | |
| SCHEMBL16230016 | 0.80 | SMO (0.51) | SMOALDH1A1 | |
| SCHEMBL10316206 | 0.79 | SMO (0.48) | SMOPARGALDH1A1 | |
| SCHEMBL16230003 | 0.78 | SMO (0.52) | SMO | |
| SCHEMBL16230014 | 0.77 | SMO (0.55) | SMO | |
| SCHEMBL10316153 | 0.77 | SMO (0.45) | SMOPARGALDH1A1 | |
| SCHEMBL16230004 | 0.76 | SMO (0.47) | SMOALDH1A1 | |
| SCHEMBL16230002 | 0.73 | SMO (0.46) | SMO | |
| SCHEMBL11976410 | 0.73 | SMO (0.46) | SMOPARG | |
| SCHEMBL3426735 | 0.73 | SMO (0.49) | SMOALDH1A1 |
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-2471791-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-11-12 | — | — | EP | disclosed |