Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 8/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.39 |
| ▸ | QPCT | Q16769 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27663505 | 0.83 | CYP17A1 (0.48) | CYP17A1TBXAS1CYP19A1 | |
| Iodide SCHEMBL27675674 | 0.81 | CYP17A1 (0.47) | CYP17A1TBXAS1CYP19A1 | |
| SCHEMBL18045656 | 0.81 | CYP17A1 (0.49) | CYP17A1TBXAS1CYP19A1 | |
| SCHEMBL2385238 | 0.79 | CYP17A1 (0.50) | CYP17A1TBXAS1CYP19A1KDM4E | |
| SCHEMBL17414701 | 0.79 | CYP17A1 (0.50) | CYP17A1TBXAS1CYP19A1KDM4E | |
| SCHEMBL27968576 | 0.78 | CYP17A1 (0.45) | CYP17A1TBXAS1KDM4E | |
| SCHEMBL27683095 | 0.78 | CYP17A1 (0.43) | CYP17A1TBXAS1CYP19A1 | |
| Bromide SCHEMBL28331929 | 0.77 | CYP17A1 (0.49) | CYP17A1TBXAS1CYP19A1KDM4E | |
| Hydrochloric Acid SCHEMBL29139305 | 0.77 | CYP17A1 (0.49) | CYP17A1TBXAS1CYP19A1KDM4E | |
| Dodecane SCHEMBL28311807 | 0.77 | TBXAS1 (0.50) | CYP17A1TBXAS1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4413003-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1983-11-01 | — | — | US | disclosed |