Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 11/20 | 0.50 |
| ▸ | MAOB | P27338 | 11/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL856483 | 0.85 | CYP3A4 (0.51) | MAOAMAOBPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL7211024 | 0.83 | CYP3A4 (0.50) | MAOAMAOBPDE4APDE4BPDE4C | |
| SCHEMBL1346309 | 0.83 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DEGFR | |
| Benzene SCHEMBL28049942 | 0.82 | ENPP1 (0.55) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL28049940 | 0.81 | ENPP1 (0.50) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL27969044 | 0.81 | MAOA (0.50) | MAOAMAOBFFAR1HPGD | |
| SCHEMBL5044674 | 0.80 | PDE4A (0.42) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL3424568 | 0.80 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL28069972 | 0.78 | EGFR (0.47) | MAOAMAOBEGFRPIK3CDPIK3R1 | |
| SCHEMBL4512570 | 0.77 | KDR (0.57) | MAOAPDE4APDE4BPDE4CPDE4D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294578-A | Quinazoline derivative having targeted antitumor activity | GUANGDONG WHOLEWIN TECHNOLOGY CO LTD | 2016-02-03 | — | — | CN | disclosed |