Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 7/20 | 0.43 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.39 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4532599 | 0.89 | HNF4A (0.51) | BCAT2HNF4ADHODHNPC1RAB9A | |
| SCHEMBL4950797 | 0.85 | BCAT2 (0.36) | BCAT2KEAP1NFE2L2PARP1DHODH | |
| SCHEMBL3914195 | 0.84 | BCAT2 (0.41) | BCAT2KEAP1NFE2L2PARP1DHODH | |
| SCHEMBL3914170 | 0.83 | CSNK1A1 (0.44) | BCAT2KEAP1NFE2L2PARP1DHODH | |
| SCHEMBL6775090 | 0.82 | CYP1A2 (0.43) | IKBKBCCNE2CDK4CCND1CCNE1 | |
| SCHEMBL2650295 | 0.81 | CSNK1A1 (0.54) | BCAT2KEAP1NFE2L2PARP1NPC1 | |
| SCHEMBL4950617 | 0.81 | BCAT2 (0.54) | BCAT2PARP1DHODHNPC1RAB9A | |
| SCHEMBL6782270 | 0.80 | CCNE2 (0.41) | PARP1DHODHCCNE2CDK4CCND1 | |
| SCHEMBL11968815 | 0.79 | POLB (0.42) | HNF4ADHODHNPC1RAB9AKDR | |
| SCHEMBL27761645 | 0.79 | FGFR1 (0.41) | NPC1RAB9ACSNK1A1DYRK1BMAP4K4 |
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-107922394-B | 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors | 默沙东公司 | 2021-07-13 | — | — | CN | disclosed |