Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28001856 | 0.92 | MAP4K4 (0.45) | PARP1MAP4K4CCR3HRH1GRM2 | |
| SCHEMBL1662326 | 0.79 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL23166113 | 0.75 | HRH3 (0.50) | PARP1ALDH1A1 | |
| SCHEMBL19311829 | 0.74 | PARP1 (0.50) | PARP1MAP4K4CCR3TNKSPARP2 | |
| SCHEMBL1661473 | 0.73 | ALDH1A1 (0.33) | GRM2ALDH1A1 | |
| SCHEMBL28444707 | 0.72 | LMNA (0.52) | KCNH2GRM2ALDH1A1 | |
| SCHEMBL2108897 | 0.72 | ACHE (0.66) | CCR3KCNH2ACHE | |
| SCHEMBL1661217 | 0.72 | S1PR5 (0.53) | CCR3ALDH1A1 | |
| SCHEMBL1661451 | 0.72 | S1PR5 (0.53) | CCR3ALDH1A1 | |
| SCHEMBL1661132 | 0.72 | S1PR5 (0.53) | CCR3ALDH1A1 |
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-104507933-B | Amido quinazoline and Pyridopyrimidine derivatives | 霍夫曼-拉罗奇有限公司 | 2017-10-31 | — | — | CN | claimed |
| CN-104507933-A | Aminoquinazoline and pyridopyrimidine derivatives | HOFFMANN LA ROCHE | 2015-04-08 | — | — | CN | claimed |