Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 15/20 | 0.74 |
| ▸ | ERG | P11308 | 1/20 | 0.70 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.48 |
| ▸ | TUBB | P07437 | 2/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.48 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.48 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.48 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.48 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.48 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.48 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.48 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2158154 | 0.86 | SMO (0.67) | SMOERG | |
| Trifluoroacetic Acid SCHEMBL2158835 | 0.82 | SMO (0.89) | SMOERG | |
| Trifluoroacetic Acid SCHEMBL1829978 | 0.81 | SMO (0.58) | SMOERG | |
| SCHEMBL1830468 | 0.81 | SMO (0.71) | SMOERG | |
| SCHEMBL3241112 | 0.79 | TUBB4A (0.69) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL25168815 | 0.79 | TUBB4A (0.55) | SMOTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6386469 | 0.77 | TUBB4A (0.67) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| Trifluoroacetic Acid SCHEMBL2158044 | 0.75 | SMO (0.90) | SMOERG | |
| SCHEMBL25171668 | 0.75 | GRM5 (0.67) | — | |
| SCHEMBL2024369 | 0.74 | EPHX2 (0.69) | 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 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 |