Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 4/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | QPCT | Q16769 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21392728 | 0.86 | TBXAS1 (0.50) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL4338960 | 0.84 | TBXAS1 (0.49) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL28843269 | 0.82 | TBXAS1 (0.47) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Bromide SCHEMBL28286964 | 0.82 | TBXAS1 (0.47) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL28328253 | 0.82 | TBXAS1 (0.50) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Iodide SCHEMBL27677678 | 0.82 | TBXAS1 (0.47) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL27266263 | 0.80 | TBXAS1 (0.38) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL13919194 | 0.78 | TBXAS1 (0.45) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL4342783 | 0.76 | TBXAS1 (0.54) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Bicarbonate SCHEMBL29201379 | 0.76 | TBXAS1 (0.58) | TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018013590-A1 | AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM | EVONIK DEGUSSA GMBH (DE) | 2018-01-18 | — | — | WO | disclosed |