Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30969596 | 0.85 | PDE5A (0.54) | PDE5ANPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL30969589 | 0.85 | PDE5A (0.47) | PDE5ANPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL30969600 | 0.85 | PDE5A (0.47) | PDE5ANPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL30969585 | 0.85 | SMN1; SMN2 (0.59) | PDE5ANPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL30969595 | 0.83 | HPGD (0.57) | PDE5ANPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL30969590 | 0.81 | KDR (0.59) | PDE5AKMT2AMEN1RAF1BRAF | |
| SCHEMBL30969598 | 0.78 | CSF1R (0.51) | PDE5ANPC1RAB9ACLK4ALDH1A1 | |
| SCHEMBL30969586 | 0.78 | EGFR (0.49) | PDE5ANPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL30969593 | 0.77 | NPC1 (0.49) | PDE5ANPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL30969597 | 0.75 | PDE5A (0.43) | PDE5ANPC1RAB9ACYP1A2CYP2C19 |
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-117946083-A | Quinazoline derivative containing piperonal as well as synthesis method and application thereof | 贵州大学 | 2024-04-30 | — | — | CN | claimed |
| CN-117946083-A | Quinazoline derivative containing piperonal as well as synthesis method and application thereof | 贵州大学 | 2024-04-30 | — | — | CN | disclosed |