Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9401646 | 0.87 | TBXAS1 (0.53) | TBXAS1CYP19A1CYP11B1CYP11B2PDE3B | |
| SCHEMBL9835146 | 0.84 | TBXAS1 (0.71) | TBXAS1CYP19A1CYP11B1CYP11B2PDE3B | |
| SCHEMBL10553258 | 0.82 | TBXAS1 (0.61) | TBXAS1CYP19A1CYP11B1CYP11B2PDE3B | |
| Water SCHEMBL9837182 | 0.81 | TBXAS1 (0.60) | TBXAS1CYP19A1CYP11B1CYP11B2PDE3B | |
| SCHEMBL9835130 | 0.81 | TBXAS1 (0.57) | TBXAS1CYP19A1CYP11B1CYP11B2PDE3B | |
| Formic Acid SCHEMBL27264309 | 0.81 | TBXAS1 (0.67) | TBXAS1CYP19A1CYP11B1CYP11B2PDE3B | |
| SCHEMBL9836059 | 0.80 | TBXAS1 (0.58) | TBXAS1CYP19A1CYP11B1CYP11B2PDE3B | |
| SCHEMBL738495 | 0.70 | CYP19A1 (1.00) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| SCHEMBL9836166 | 0.69 | TBXAS1 (1.00) | TBXAS1CYP19A1CYP11B1CYP11B2PDE3B | |
| Bromide SCHEMBL28170216 | 0.69 | CYP19A1 (0.96) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 |
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-5286869-A | Vasodilators and anticoagulants | FUJIREBIO KABUSHIKI KAISHA (JP) | 1994-02-15 | — | — | US | disclosed |
| EP-0403957-A2 | Optical active 1,4-dihydropyridine derivates | FUJIREBIO INC. (JP) | 1990-12-27 | — | — | EP | disclosed |