Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11145829 | 0.88 | CACNA1B (0.49) | CYP19A1CYP11B1CYP11B2CACNA1BTBXAS1 | |
| SCHEMBL11158462 | 0.87 | CYP19A1 (0.51) | CYP19A1CYP11B1CYP11B2IDO1 | |
| Hydrochloric Acid SCHEMBL11147406 | 0.87 | CACNA1B (0.48) | CYP19A1CYP11B1CYP11B2CACNA1BTBXAS1 | |
| SCHEMBL11145004 | 0.87 | CYP2A6 (0.52) | CYP19A1CYP11B1CYP11B2IDO1TBXAS1 | |
| Hydrochloric Acid SCHEMBL11149860 | 0.86 | CYP2A6 (0.51) | CYP19A1CYP11B1CYP11B2IDO1TBXAS1 | |
| SCHEMBL11144615 | 0.84 | TBXAS1 (0.60) | CYP19A1CYP11B1IDO1TBXAS1 | |
| SCHEMBL11148435 | 0.82 | FNTA (0.48) | CYP19A1CACNA1BIDO1TBXAS1 | |
| SCHEMBL11147374 | 0.81 | FNTA (0.51) | CYP19A1CYP11B1CYP11B2CACNA1BIDO1 | |
| SCHEMBL11146917 | 0.79 | ACACB (0.50) | CYP19A1TBXAS1 | |
| SCHEMBL11149571 | 0.78 | CYP3A4 (0.54) | IDO1TBXAS1 |
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-0009683-B1 | BASIC PHENYL ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE PREPARATION OF THESE ETHERS AND COMPOSITIONS | MERCK PATENT GmbH (DE) | 1983-08-10 | — | — | EP | disclosed |
| EP-0009683-A1 | Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions | MERCK PATENT GmbH (DE) | 1980-04-16 | — | — | EP | disclosed |