Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20171945 | 0.66 | HSP90AA1 (0.36) | HSP90AA1CYP19A1TBXAS1 | |
| SCHEMBL18903831 | 0.58 | NISCH (0.34) | — | |
| SCHEMBL8865568 | 0.54 | ALDH1A1 (0.32) | HSP90AA1 | |
| SCHEMBL4390289 | 0.54 | HSP90AA1 (0.59) | HSP90AA1CYP19A1TBXAS1 | |
| SCHEMBL449725 | 0.53 | — | — | |
| SCHEMBL9691058 | 0.52 | HSP90AA1 (0.39) | HSP90AA1 | |
| SCHEMBL9691050 | 0.52 | HSP90AA1 (0.45) | HSP90AA1 | |
| SCHEMBL3129135 | 0.51 | HSD17B10 (0.39) | HSP90AA1CYP19A1TBXAS1 | |
| SCHEMBL15395750 | 0.51 | HSP90AA1 (0.38) | HSP90AA1 | |
| SCHEMBL13090140 | 0.51 | MAPT (0.39) | HSP90AA1CYP19A1TBXAS1 |
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-2013087581-A1 | AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-06-20 | — | — | WO | disclosed |