Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 5/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12439743 | 0.80 | NCF1 (0.48) | SMORORCALDH1A1 | |
| SCHEMBL13256027 | 0.79 | — | — | |
| SCHEMBL1273104 | 0.78 | TP53 (0.48) | ALDH1A1 | |
| SCHEMBL1272565 | 0.78 | — | — | |
| SCHEMBL1272200 | 0.77 | SMN1; SMN2 (0.42) | SMORORC | |
| SCHEMBL13154280 | 0.75 | ALDH1A1 (0.34) | SMORORCALDH1A1 | |
| SCHEMBL8242487 | 0.75 | HRH3 (0.38) | SMORORC | |
| SCHEMBL8318641 | 0.74 | NCF1 (0.41) | SMOALDH1A1 | |
| SCHEMBL4939644 | 0.74 | — | — | |
| SCHEMBL6240484 | 0.74 | ALDH1A1 (0.35) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2015104353-A1 | HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-07-16 | — | — | WO | disclosed |