Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SQSTM1 | Q13501 | 1/20 | 0.74 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | STIM1 | Q13586 | 3/20 | 0.47 |
| ▸ | ORAI1 | Q96D31 | 3/20 | 0.47 |
| ▸ | DHFR | P00374 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | SNCA | P37840 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
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 | 0.92 | SQSTM1 (0.78) | SQSTM1CA1CA2PTGS2CA5A | |
| SCHEMBL28721773 | 0.89 | SQSTM1 (0.71) | SQSTM1CA1CA2PTGS2CA5A | |
| SCHEMBL28704228 | 0.87 | SQSTM1 (0.68) | SQSTM1CA1CA2PTGS2CA5A | |
| SCHEMBL28718166 | 0.86 | SQSTM1 (0.69) | SQSTM1CA1CA2PTGS2CA5A | |
| SCHEMBL28715070 | 0.85 | SQSTM1 (0.68) | SQSTM1STIM1ORAI1DHFR | |
| SCHEMBL28936942 | 0.85 | SQSTM1 (0.68) | SQSTM1STIM1ORAI1DHFR | |
| SCHEMBL28718169 | 0.85 | SQSTM1 (0.65) | SQSTM1CA1CA2PTGS2CA5A | |
| SCHEMBL28704219 | 0.85 | SQSTM1 (0.65) | SQSTM1CA1CA2PTGS2CA5A | |
| SCHEMBL28715062 | 0.85 | SQSTM1 (0.65) | SQSTM1CA1CA2PTGS2CA5A | |
| SCHEMBL28715066 | 0.85 | SQSTM1 (0.65) | SQSTM1CA1CA2CA5ACA5B |
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 |