Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SQSTM1 | Q13501 | 1/20 | 0.71 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.53 |
| ▸ | STIM1 | Q13586 | 6/20 | 0.51 |
| ▸ | ORAI1 | Q96D31 | 6/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL28704210 | 0.90 | SQSTM1 (0.78) | SQSTM1KEAP1NFE2L2STIM1ORAI1 | |
| SCHEMBL28721769 | 0.89 | SQSTM1 (0.74) | SQSTM1STIM1ORAI1ADORA2AADORA3 | |
| SCHEMBL28718166 | 0.86 | SQSTM1 (0.69) | SQSTM1KEAP1NFE2L2CA1CA2 | |
| SCHEMBL28715070 | 0.83 | SQSTM1 (0.68) | SQSTM1STIM1ORAI1DHFR | |
| SCHEMBL28936942 | 0.83 | SQSTM1 (0.68) | SQSTM1STIM1ORAI1DHFR | |
| SCHEMBL28714921 | 0.83 | SQSTM1 (1.00) | SQSTM1STIM1ORAI1CYP1B1SLC2A1 | |
| SCHEMBL28713001 | 0.82 | SQSTM1 (0.73) | SQSTM1STIM1ORAI1CYP1B1CA1 | |
| SCHEMBL28704228 | 0.81 | SQSTM1 (0.68) | SQSTM1CA1CA2CA12CA9 | |
| SCHEMBL28704219 | 0.79 | SQSTM1 (0.65) | SQSTM1CA1CA2CA12CA9 | |
| SCHEMBL28715066 | 0.79 | SQSTM1 (0.65) | SQSTM1CA1CA2MAPTHSD17B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114230557-B | Quinazoline-substituted 1,2,3-triazole derivative, and pharmaceutical composition, preparation method and application thereof | 深圳大学 | 2023-01-06 | — | — | CN | claimed |
| CN-114230557-A | Quinazoline-substituted 1,2, 3-triazole derivative, and pharmaceutical composition, preparation method and application thereof | 深圳大学 | 2022-03-25 | — | — | CN | claimed |
| CN-114230557-B | Quinazoline-substituted 1,2,3-triazole derivative, and pharmaceutical composition, preparation method and application thereof | 深圳大学 | 2023-01-06 | — | — | CN | disclosed |
| CN-114230557-A | Quinazoline-substituted 1,2, 3-triazole derivative, and pharmaceutical composition, preparation method and application thereof | 深圳大学 | 2022-03-25 | — | — | CN | disclosed |