Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 17/20 | 0.69 |
| ▸ | ERG | P11308 | 1/20 | 0.69 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1830934 | 0.84 | SMO (0.56) | SMOERG | |
| SCHEMBL2158630 | 0.84 | SMO (0.61) | SMOERG | |
| Trifluoroacetic Acid SCHEMBL1832311 | 0.80 | SMO (0.55) | SMOERG | |
| SCHEMBL1460112 | 0.79 | SMO (0.45) | SMOERG | |
| Trifluoroacetic Acid SCHEMBL2158258 | 0.78 | SMO (0.88) | SMOERGEPHX1EPHX2KCNH2 | |
| Trifluoroacetic Acid SCHEMBL2158204 | 0.77 | SMO (0.90) | SMOERG | |
| SCHEMBL1834403 | 0.77 | HTR2B (0.47) | SMOERG | |
| SCHEMBL1458340 | 0.76 | FAAH (0.51) | — | |
| SCHEMBL1830468 | 0.76 | SMO (0.71) | SMOERG | |
| SCHEMBL5239212 | 0.74 | KDM4E (0.68) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2318400-A1 | 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS | Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010013037-A1 | 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-02-04 | — | — | WO | disclosed |