Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.64 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.53 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.51 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL514562 | 0.89 | CYP19A1 (0.64) | CYP19A1CYP1B1CYP17A1SRD5A2SRD5A1 | |
| SCHEMBL5676587 | 0.86 | CYP19A1 (0.70) | CYP19A1CYP1B1CYP17A1SRD5A2SRD5A1 | |
| SCHEMBL606838 | 0.86 | CYP19A1 (0.70) | CYP19A1CYP1B1CYP17A1SRD5A2SRD5A1 | |
| SCHEMBL5171014 | 0.84 | CYP19A1 (0.64) | CYP19A1 | |
| SCHEMBL11740332 | 0.84 | CYP19A1 (0.67) | CYP19A1CYP1B1CYP17A1SRD5A2SRD5A1 | |
| SCHEMBL26964891 | 0.83 | CYP19A1 (0.69) | CYP19A1CYP1B1CYP17A1SRD5A2SRD5A1 | |
| SCHEMBL3132563 | 0.83 | CYP19A1 (0.69) | CYP19A1CYP1B1CYP17A1SRD5A2SRD5A1 | |
| SCHEMBL11054544 | 0.83 | CYP19A1 (0.65) | CYP19A1CYP1B1CYP17A1SRD5A2SRD5A1 | |
| SCHEMBL9622954 | 0.82 | CYP19A1 (0.68) | CYP19A1CYP1B1CYP17A1SRD5A2 | |
| SCHEMBL9622951 | 0.82 | CYP19A1 (0.68) | CYP19A1CYP1B1CYP17A1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4444767-A | ANTIANAPHYLACTIC AGENTS | ROUSSEL UCLAF (FR) | 1984-04-24 | — | — | US | disclosed |
| US-4059575-A | Process for the preparation of 17(20)ene-21-steroid aldehydes | RESEARCH CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |