Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2875248 | 0.84 | GRIN2D (0.38) | TRPV3CYP19A1CYP11B1CYP11B2NISCH | |
| SCHEMBL2087271 | 0.70 | GRIN2D (0.46) | TRPV3 | |
| SCHEMBL2090630 | 0.70 | GRIN2D (0.46) | CYP19A1CYP11B1CYP11B2NISCH | |
| SCHEMBL5865169 | 0.69 | CYP19A1 (0.35) | CYP19A1CYP11B1CYP11B2NISCH | |
| SCHEMBL5865222 | 0.64 | CYP11B1 (0.42) | CYP19A1CYP11B1CYP11B2NISCH | |
| SCHEMBL5865518 | 0.63 | GRIN2D (0.43) | CYP19A1CYP11B1CYP11B2NISCH | |
| Fumaric Acid SCHEMBL5865172 | 0.62 | GRIN2D (0.39) | CYP19A1CYP11B1CYP11B2NISCH | |
| Fumaric Acid SCHEMBL5865164 | 0.62 | GRIN2D (0.39) | CYP19A1CYP11B1CYP11B2NISCH | |
| SCHEMBL24266487 | 0.62 | TRPV3 (0.43) | TRPV3 | |
| SCHEMBL5607529 | 0.60 | CYP11B2 (0.57) | CYP19A1CYP11B1CYP11B2NISCH |
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-2227452-A2 | PYRIDINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009068468-A2 | PYRIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-04 | — | — | WO | disclosed |