Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.51 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | MAT2A | P31153 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2948476 | 0.85 | PDE3B (0.53) | PDE3BPDE3AAMY1AALDH1A1KDM4E | |
| SCHEMBL10759980 | 0.81 | PDE3B (0.49) | PDE3BPDE3AAMY1AALDH1A1KDM4E | |
| SCHEMBL27671629 | 0.78 | ALDH1A1 (0.51) | AMY1AALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL8807809 | 0.75 | EGFR (0.48) | PDE3BPDE3AAMY1AALDH1A1KDM4E | |
| SCHEMBL4738100 | 0.72 | PDE3A (0.50) | PDE3BPDE3AAMY1AALDH1A1HPGD | |
| SCHEMBL8374763 | 0.72 | PDE3B (0.44) | PDE3BPDE3AALDH1A1KDM4EHPGD | |
| SCHEMBL27248807 | 0.69 | PDE3B (0.40) | PDE3BPDE3AAMY1AALDH1A1KDM4E | |
| SCHEMBL27248563 | 0.69 | ALDH1A1 (0.37) | PDE3BPDE3AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL275910 | 0.69 | CYP1A2 (0.48) | ALDH1A1GAAMAPTMAT2AHTT | |
| SCHEMBL14353311 | 0.68 | DCPS (0.63) | PDE3BPDE3AALDH1A1HPGDMAPT |
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-105037279-B | 4 N substituted quinazolines analog derivatives of the structure containing pentadienone and preparation and application | 贵州大学 | 2017-11-03 | — | — | CN | disclosed |
| CN-105037279-A | 4-N substituted quinazoline derivants adopting pentadienone structure and preparation and application of 4-N substituted quinazoline derivants | UNIV GUIZHOU | 2015-11-11 | — | — | CN | disclosed |