Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.56 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | GRK6 | P43250 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4138458 | 0.87 | MYC (0.72) | MYCBCAT2KEAP1NFE2L2BRD4 | |
| SCHEMBL31596348 | 0.85 | MYC (0.55) | MYCALDH1A1MAPTTSHRTTR | |
| SCHEMBL30207687 | 0.85 | MYC (0.51) | MYCBCAT2KEAP1NFE2L2BRD4 | |
| SCHEMBL5702020 | 0.84 | MYC (0.73) | MYCKDM4EALDH1A1TSHRTTR | |
| SCHEMBL28506849 | 0.82 | MYC (0.51) | MYCALDH1A1MAPTTTRMETAP2 | |
| SCHEMBL27279237 | 0.80 | BCAT2 (0.63) | MYCBCAT2KEAP1NFE2L2BRD4 | |
| SCHEMBL6851581 | 0.80 | MYC (0.44) | MYCKEAP1NFE2L2KDM4EALDH1A1 | |
| SCHEMBL5735556 | 0.79 | MYC (0.49) | MYCNFE2L2ALDH1A1MAPTTTR | |
| SCHEMBL28405226 | 0.79 | MYC (0.49) | MYCALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL29848458 | 0.79 | MYC (0.53) | MYCALDH1A1MAPTTTRGAA |
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-112262140-A | Pesticidally active heterocyclic derivatives with sulfoximine-containing substituents | 先正达农作物保护股份公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-111989323-A | N- (cyclopropylmethyl) -5- (methylsulfonyl) -N- {1- [1- (pyrimidin-2-yl) -1H-1, 2, 4-triazol-5-yl ] ethyl } benzamide derivatives and corresponding picolinamide derivatives as pesticides | 拜耳公司 | 2020-11-24 | — | — | CN | disclosed |