Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30514077 | 0.68 | BCAT2 (0.74) | BCAT2KEAP1NFE2L2CSNK1A1TYRO3 | |
| SCHEMBL210767 | 0.68 | BCAT2 (0.74) | BCAT2KEAP1NFE2L2CSNK1A1TYRO3 | |
| SCHEMBL5637470 | 0.68 | TRPA1 (0.46) | TRPA1GPR84 | |
| SCHEMBL28619928 | 0.68 | BCAT2 (0.41) | BCAT2KEAP1NFE2L2CSNK1A1TYRO3 | |
| Hydrochloric Acid SCHEMBL16463881 | 0.66 | BCAT2 (0.71) | BCAT2KEAP1NFE2L2CSNK1A1TYRO3 | |
| SCHEMBL31012518 | 0.66 | BCAT2 (0.71) | BCAT2KEAP1NFE2L2CSNK1A1TYRO3 | |
| SCHEMBL1110181 | 0.66 | BCAT2 (0.71) | BCAT2KEAP1NFE2L2CSNK1A1TYRO3 | |
| SCHEMBL29116644 | 0.64 | TRPA1 (0.46) | TRPA1GPR84 | |
| SCHEMBL11569294 | 0.63 | TRPA1 (0.44) | TRPA1 | |
| SCHEMBL5878337 | 0.63 | BCAT2 (0.87) | BCAT2KEAP1NFE2L2CSNK1A1TYRO3 |
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-107889487-B | Bicyclic tetrahydrothiazepine derivatives for the treatment of tumor and/or infectious diseases | 阿派隆生物制剂股份公司 | 2021-09-03 | — | — | CN | disclosed |