Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | IAPP | P10997 | 2/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL14588764 | 1.00 | NPSR1 (0.71) | NPSR1GLATDP1CYP19A1MAOA | |
| SCHEMBL14441060 | 0.86 | GLA (0.72) | NPSR1GLATDP1IAPPPTGS1 | |
| SCHEMBL29619510 | 0.85 | NPSR1 (0.76) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL30791063 | 0.83 | NPSR1 (1.00) | NPSR1GLATDP1CYP19A1MAOA | |
| SCHEMBL31480914 | 0.83 | NPSR1 (0.73) | NPSR1TDP1CYP19A1MAOAMAOB | |
| SCHEMBL29777960 | 0.83 | NPSR1 (1.00) | NPSR1GLATDP1CYP19A1MAOA | |
| SCHEMBL1000885 | 0.83 | NPSR1 (1.00) | NPSR1GLATDP1CYP19A1MAOA | |
| SCHEMBL1000884 | 0.83 | NPSR1 (1.00) | NPSR1GLATDP1CYP19A1MAOA | |
| SCHEMBL1003575 | 0.83 | NPSR1 (1.00) | NPSR1GLATDP1CYP19A1MAOA | |
| SCHEMBL9775644 | 0.83 | NPSR1 (0.73) | NPSR1TDP1CYP19A1MAOAMAOB |
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 |