Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 10/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5295951 | 1.00 | TBXAS1 (0.65) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 | |
| SCHEMBL27663546 | 1.00 | TBXAS1 (0.65) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 | |
| SCHEMBL21191570 | 1.00 | TBXAS1 (0.65) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 | |
| SCHEMBL27637869 | 1.00 | TBXAS1 (0.65) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 | |
| SCHEMBL5307325 | 1.00 | TBXAS1 (0.65) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 | |
| SCHEMBL5292390 | 1.00 | TBXAS1 (0.65) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 | |
| SCHEMBL2229395 | 0.98 | TBXAS1 (0.62) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 | |
| Iodide SCHEMBL27640299 | 0.96 | TBXAS1 (0.60) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 | |
| SCHEMBL22023938 | 0.93 | TBXAS1 (0.59) | TBXAS1CYP3A4CYP2D6CYP17A1CYP19A1 | |
| SCHEMBL21017196 | 0.86 | TBXAS1 (0.49) | TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1 |
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 |