Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.46 |
| ▸ | LDHA | P00338 | 2/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28650367 | 0.86 | BCHE (0.52) | BCHEKEAP1NFE2L2LDHANOTUM | |
| SCHEMBL28645168 | 0.85 | BCHE (0.51) | BCHELDHANOTUMHSD17B1HSD17B2 | |
| SCHEMBL28661839 | 0.85 | BCHE (0.65) | BCHELDHANOTUMABCB1ABCG2 | |
| SCHEMBL28653154 | 0.85 | BCHE (0.48) | BCHELDHANOTUMHSD17B1HSD17B2 | |
| SCHEMBL28661942 | 0.85 | CA2 (0.49) | BCHEKEAP1NFE2L2LDHANOTUM | |
| SCHEMBL28264474 | 0.82 | KEAP1 (0.50) | BCHEKEAP1NFE2L2LDHAHSD17B1 | |
| SCHEMBL28644691 | 0.79 | BCHE (0.56) | BCHELDHANOTUMABCB1ABCG2 | |
| SCHEMBL28642690 | 0.78 | MIF (0.56) | BCHEABCB1ABCG2HDAC3HDAC1 | |
| SCHEMBL28645410 | 0.77 | BCHE (0.51) | BCHENOTUMABCB1ABCG2NPC1 | |
| SCHEMBL28927757 | 0.77 | BCHE (0.51) | BCHELDHANOTUMABCB1ABCG2 |
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-110423239-B | 1, 3-oxazine 1,2, 3-triazole derivative and synthetic method and application thereof | 昆明理工大学 | 2021-10-26 | — | — | CN | claimed |
| CN-110423239-B | 1, 3-oxazine 1,2, 3-triazole derivative and synthetic method and application thereof | 昆明理工大学 | 2021-10-26 | — | — | CN | disclosed |