Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.37 |
| ▸ | AKT1 | P31749 | 3/20 | 0.37 |
| ▸ | AKT2 | P31751 | 3/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.37 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL15901888 | 1.00 | TBXAS1 (0.41) | TBXAS1CYP17A1PIK3R1AKT1AKT2 | |
| Bromide SCHEMBL28937656 | 0.99 | TBXAS1 (0.41) | TBXAS1CYP17A1PIK3R1AKT1AKT2 | |
| Hydrochloric Acid SCHEMBL28887851 | 0.99 | TBXAS1 (0.41) | TBXAS1CYP17A1PIK3R1AKT1AKT2 | |
| Hydrochloric Acid SCHEMBL28382553 | 0.97 | CYP17A1 (0.39) | TBXAS1CYP17A1PIK3R1AKT1AKT2 | |
| SCHEMBL28910858 | 0.95 | CYP17A1 (0.39) | TBXAS1CYP17A1PIK3R1AKT1AKT2 | |
| SCHEMBL2518955 | 0.88 | CYP17A1 (0.41) | TBXAS1CYP17A1CYP19A1 | |
| Bromide SCHEMBL28301180 | 0.86 | CYP17A1 (0.40) | TBXAS1CYP17A1CYP19A1 | |
| SCHEMBL18885407 | 0.86 | TBXAS1 (0.50) | TBXAS1CYP17A1PIK3R1AKT1AKT2 | |
| SCHEMBL19611321 | 0.86 | TBXAS1 (0.50) | TBXAS1CYP17A1PIK3R1AKT1AKT2 | |
| SCHEMBL9722522 | 0.86 | TBXAS1 (0.50) | TBXAS1CYP17A1PIK3R1AKT1AKT2 |
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-110746447-A | Azole boron energetic ionic liquid with di (1H-imidazole-1-yl) boron hydride as anion and preparation method thereof | 西北工业大学 | 2020-02-04 | — | — | CN | disclosed |