Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SQSTM1 | Q13501 | 1/20 | 0.61 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28718166 | 0.86 | SQSTM1 (0.69) | SQSTM1FLT3DHFRCDC7CA1 | |
| SCHEMBL28704228 | 0.85 | SQSTM1 (0.68) | SQSTM1FLT3DHFRMAPTSNCA | |
| SCHEMBL28715066 | 0.85 | SQSTM1 (0.65) | SQSTM1FLT3MAPTSNCACA1 | |
| SCHEMBL28715062 | 0.85 | SQSTM1 (0.65) | SQSTM1FLT3DHFRMAPTSNCA | |
| SCHEMBL28718169 | 0.85 | SQSTM1 (0.65) | SQSTM1FLT3MAPTSNCACDC7 | |
| SCHEMBL28704219 | 0.85 | SQSTM1 (0.65) | SQSTM1MAP4K4FLT3MAPTSNCA | |
| SCHEMBL28721769 | 0.82 | SQSTM1 (0.74) | SQSTM1MAP4K4DHFRMAPTSNCA | |
| SCHEMBL28936945 | 0.81 | SQSTM1 (0.59) | SQSTM1DHFRCA1CA2CA5A | |
| SCHEMBL28704210 | 0.79 | SQSTM1 (0.78) | SQSTM1DHFRMAPTCA1CA2 | |
| SCHEMBL20097511 | 0.78 | NOTUM (0.58) | FLT3NOTUMS1PR1S1PR3MAPT |
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-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 |