Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.44 |
| ▸ | PPARG | P37231 | 7/20 | 0.44 |
| ▸ | PPARD | Q03181 | 7/20 | 0.44 |
| ▸ | PPARA | Q07869 | 7/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TLR2 | O60603 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | FABP4 | P15090 | 2/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL594962 | 0.80 | — | — | |
| SCHEMBL7081057 | 0.79 | CA2 (0.63) | EPHX1CA1CA2PPARA | |
| SCHEMBL7085537 | 0.79 | CA2 (0.63) | EPHX1CA1CA2PPARA | |
| SCHEMBL7184916 | 0.78 | HSP90AA1 (0.57) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL21060856 | 0.78 | HSP90AA1 (0.57) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL11649466 | 0.78 | HSP90AA1 (0.57) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL7185340 | 0.78 | HSP90AA1 (0.57) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octane SCHEMBL8701947 | 0.77 | CA1 (0.58) | EPHX1CA1CA2PPARATSHR | |
| Heptane SCHEMBL8018203 | 0.77 | CA1 (0.58) | EPHX1CA1CA2PPARATSHR | |
| SCHEMBL17107097 | 0.77 | CA1 (0.58) | EPHX1CA1CA2PPARATSHR |
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-106955790-A | A kind of N alkyl hydroximic acid O alkyl thiourethanes collecting agent, preparation and its application | 中南大学 | 2017-07-18 | — | — | CN | disclosed |