Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17723264 | 0.98 | CYP19A1 (0.49) | CYP19A1MGAMGAASIMGAM2 | |
| SCHEMBL26939218 | 0.83 | CYP19A1 (0.46) | CYP19A1ALDH1A1SMN1; SMN2NPSR1CYP4F2 | |
| SCHEMBL26939214 | 0.82 | CYP19A1 (0.49) | CYP19A1ALDH1A1SMN1; SMN2NPSR1CYP3A4 | |
| SCHEMBL26452113 | 0.82 | CYP19A1 (0.45) | CYP19A1ALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL2065251 | 0.79 | CYP19A1 (0.50) | CYP19A1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5089630 | 0.79 | MGAM (0.44) | CYP19A1MGAMGAASIMGAM2 | |
| SCHEMBL25397835 | 0.78 | CYP19A1 (0.53) | CYP19A1CYP3A4 | |
| SCHEMBL118423 | 0.78 | CYP19A1 (0.49) | CYP19A1ALDH1A1 | |
| SCHEMBL5702525 | 0.78 | CYP19A1 (0.49) | CYP19A1CYP4F2CYP4A11 | |
| SCHEMBL5702529 | 0.78 | CYP19A1 (0.53) | CYP19A1CYP4F2CYP4A11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4686217-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS | FISONS PLC (GB) | 1987-08-11 | — | — | US | disclosed |
| US-4607041-A | CARDIOTONIC AGENTS | FISONS PLC (GB) | 1986-08-19 | — | — | US | disclosed |
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | disclosed |