Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 9/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27759708 | 0.98 | TBXAS1 (0.46) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27663508 | 0.98 | TBXAS1 (0.46) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27759709 | 0.98 | TBXAS1 (0.46) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL19831940 | 0.98 | TBXAS1 (0.46) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL28492540 | 0.97 | TBXAS1 (0.45) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27663505 | 0.95 | CYP17A1 (0.48) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Iodide SCHEMBL27675674 | 0.93 | CYP17A1 (0.47) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL19997577 | 0.85 | TBXAS1 (0.46) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27667458 | 0.83 | TBXAS1 (0.45) | CYP17A1TBXAS1 | |
| SCHEMBL28032902 | 0.83 | TBXAS1 (0.45) | CYP17A1TBXAS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101723976-B | Ionic liquids comprising fluoralkyltriffluoroborate anions | MERCK PATENT GMBH | 2013-08-21 | — | — | CN | disclosed |
| CN-101723976-A | Ionic liquids comprising fluoralkyltriffluoroborate anions | MERCK PATENT GMBH | 2010-06-09 | — | — | CN | disclosed |
| CN-100577667-C | Ionic liquids containing fluoroalkyl trifluoroborate anions | MERCK PATENT GMBH | 2010-01-06 | — | — | CN | disclosed |
| CN-1938322-A | Ionic liquids containing fluoroalkyl trifluoroborate anions | MERCK PATENT GMBH (DE) | 2007-03-28 | — | — | CN | disclosed |