Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 4/20 | 0.55 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.55 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.52 |
| ▸ | MGAM | O43451 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | SI | P14410 | 3/20 | 0.47 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.47 |
| ▸ | BRAF | P15056 | 2/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | USP7 | Q93009 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28117707 | 0.89 | FYN (0.50) | FYNCHEK2 | |
| SCHEMBL28118129 | 0.88 | EPHB4 (0.46) | FYNCHEK2TGFBR1GAAPDGFRB | |
| SCHEMBL28837591 | 0.86 | TUBB4A (0.54) | FYNCHEK2MAPTMEN1KMT2A | |
| SCHEMBL28118147 | 0.85 | FYN (0.58) | FYNCHEK2TGFBR1BRAFALDH1A1 | |
| SCHEMBL28118150 | 0.83 | FYN (0.46) | FYNCHEK2TGFBR1MGAMGAA | |
| SCHEMBL28117777 | 0.83 | MAPT (0.42) | FYNCHEK2PDGFRBMAPTMEN1 | |
| SCHEMBL27912264 | 0.82 | FYN (0.51) | FYNCHEK2TGFBR1MGAMGAA | |
| SCHEMBL28837693 | 0.81 | MGAM (0.53) | FYNMGAMGAASIMGAM2 | |
| SCHEMBL28117789 | 0.79 | ABCB1 (0.50) | MGAMGAASIMGAM2MAPT | |
| SCHEMBL27930289 | 0.76 | FYN (0.51) | FYNCHEK2TGFBR1MGAMGAA |
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-106279058-A | The preparation of 3,4-diaryl-1,2,5-diazole oxide and purposes | 沈阳药科大学 | 2017-01-04 | — | — | CN | disclosed |