Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.59 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.52 |
| ▸ | HSPB1 | P04792 | 5/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2551985 | 0.94 | S1PR4 (0.54) | CYP19A1S1PR4HSPB1CNR2SIGMAR1 | |
| SCHEMBL30879298 | 0.89 | CYP19A1 (0.62) | CYP19A1S1PR4HSPB1CNR2SIGMAR1 | |
| SCHEMBL13419634 | 0.88 | S1PR4 (0.49) | CYP19A1S1PR4HSPB1SIGMAR1ALDH1A1 | |
| SCHEMBL30152356 | 0.87 | S1PR4 (0.48) | CYP19A1S1PR4HSPB1SIGMAR1 | |
| SCHEMBL3213149 | 0.86 | SCN9A (0.48) | CYP19A1S1PR4HSPB1 | |
| SCHEMBL13419646 | 0.86 | S1PR4 (0.50) | CYP19A1S1PR4HSPB1SIGMAR1ALDH1A1 | |
| SCHEMBL3203873 | 0.85 | CYP19A1 (0.48) | CYP19A1S1PR4HSPB1SIGMAR1 | |
| SCHEMBL22069670 | 0.83 | CYP19A1 (0.57) | CYP19A1CNR2ALDH1A1 | |
| SCHEMBL28844678 | 0.83 | CYP19A1 (0.55) | CYP19A1S1PR4HSPB1SIGMAR1ALDH1A1 | |
| SCHEMBL5704513 | 0.82 | CYP19A1 (0.62) | CYP19A1NPBWR1MCHR1ALDH1A1PARP10 |
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-3666769-A1 | NOVEL CASPASE INHIBITORS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-06-17 | — | — | EP | disclosed |
| EP-3666769-A1 | NOVEL CASPASE INHIBITORS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-06-17 | — | — | EP | disclosed |