Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 6/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11593809 | 1.00 | TBXAS1 (0.47) | TBXAS1CYP17A1TBXA2R | |
| SCHEMBL28278661 | 1.00 | TBXAS1 (0.47) | TBXAS1CYP17A1TBXA2R | |
| SCHEMBL18045656 | 0.93 | CYP17A1 (0.49) | TBXAS1CYP17A1 | |
| SCHEMBL13949281 | 0.87 | NFKB1 (0.39) | — | |
| SCHEMBL10438413 | 0.85 | CYP17A1 (0.46) | TBXAS1CYP17A1 | |
| Thiocyanic Acid SCHEMBL28990409 | 0.84 | CYP17A1 (0.43) | TBXAS1CYP17A1 | |
| SCHEMBL9722522 | 0.82 | TBXAS1 (0.50) | TBXAS1CYP17A1TBXA2R | |
| SCHEMBL3421199 | 0.82 | TBXAS1 (0.50) | TBXAS1CYP17A1TBXA2R | |
| SCHEMBL3851254 | 0.82 | TBXAS1 (0.50) | TBXAS1CYP17A1TBXA2R | |
| SCHEMBL18885407 | 0.82 | TBXAS1 (0.50) | TBXAS1CYP17A1TBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| CN-107470341-A | A kind of restorative procedure of heavy-metal contaminated soil | 昆明理工大学 | 2017-12-15 | — | — | CN | disclosed |