Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16629574 | 0.92 | PPARA (0.46) | PPARACYP2C19PTGS2FFAR4FFAR1 | |
| SCHEMBL11994144 | 0.81 | PPARA (0.44) | PPARACYP2C19PTGS2FFAR4FFAR1 | |
| SCHEMBL28848262 | 0.80 | ADRA2C (0.49) | PPARAPPARGADRA2CSLC6A4TSHR | |
| SCHEMBL554701 | 0.78 | CYP2C19 (0.45) | CYP2C19HPGDKDM4EALDH1A1MEN1 | |
| SCHEMBL10058354 | 0.77 | PTGS2 (0.52) | PPARACYP2C19HPGDKDM4EALDH1A1 | |
| SCHEMBL10798302 | 0.77 | DPP4 (0.52) | PPARAHPGDKDM4EALDH1A1MAPT | |
| SCHEMBL607543 | 0.77 | DPP4 (0.56) | PPARAHPGDALDH1A1KMT2AHTR7 | |
| SCHEMBL28210655 | 0.76 | PPARA (0.49) | PPARAMAPTFFAR4FFAR1PPARG | |
| SCHEMBL15238788 | 0.75 | PPARA (0.50) | PPARAFFAR4FFAR1 | |
| SCHEMBL3746992 | 0.75 | CYP2C19 (0.50) | CYP2C19ALDH1A1KMT2APTGS2FFAR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1016687-B | PROCESS FOR PREPARATION OF ALPHA-ARYL-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-Y1) BENZENE-ACETONITRILES | JANNSSEN PHARMACEUTICA N V (BE) | 1992-05-20 | — | — | CN | disclosed |
| CN-85105673-A | The method of preparation alpha-aromatic-4-(4,5-dihydro-3,5-dioxy-1,2,4-triazine-2 (3H) base)-benzyl cyanide | — | 1987-01-14 | — | — | CN | disclosed |