Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL24191173 | 0.85 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6PRMT1CES1 | |
| SCHEMBL10655602 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6PRMT1CES1 | |
| SCHEMBL22195312 | 0.77 | BCHE (0.38) | IDO1TSHR | |
| SCHEMBL2154643 | 0.76 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6PRMT1CES1 | |
| SCHEMBL11262637 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6PRMT1CES1 | |
| SCHEMBL2059345 | 0.73 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6PRMT1CES1 | |
| SCHEMBL22190297 | 0.72 | BCHE (0.40) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL24191057 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6PRMT1CES1 | |
| SCHEMBL777619 | 0.68 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL5680420 | 0.67 | CYP2D6 (0.63) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 |
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-116057048-A | Reagents for polyfluoroalkyl thiolation of organic compounds and methods for their production | 罗维拉威尔吉利大学 | 2023-05-02 | — | — | CN | disclosed |
| WO-2022008283-A1 | REAGENTS FOR THE POLYFLUOROALKYLTHIOLATION OF ORGANIC COMPOUNDS AND METHOD FOR PRODUCTION THEREOF | UNIVERSITAT ROVIRA I VIRGILI (ES) | 2022-01-13 | — | — | WO | disclosed |
| US-5283337-A | Reacting reducing agent, disulfide, perhaloalkyl halide | RHONE-POULENC AGROCHIMIE (FR) | 1994-02-01 | — | — | US | disclosed |
| US-5082945-A | Reducing agent, perfluoroalkyl halide, disulfide | RHONE-POULENC AGROCHIMIE (FR) | 1992-01-21 | — | — | US | disclosed |