Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30969588 | 0.85 | SMN1; SMN2 (0.49) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL30969597 | 0.83 | PDE5A (0.43) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL30969595 | 0.80 | HPGD (0.57) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL30969602 | 0.77 | PDE5A (0.54) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL30969587 | 0.76 | MAOB (0.45) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL30969590 | 0.73 | KDR (0.59) | PDE5AMEN1KMT2AEGFR | |
| SCHEMBL5569205 | 0.73 | MAPT (0.60) | NPC1RAB9ASMN1; SMN2PDE5AALDH1A1 | |
| SCHEMBL21611632 | 0.72 | ALDH1A1 (0.56) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL30969596 | 0.72 | PDE5A (0.54) | NPC1RAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL30969600 | 0.72 | PDE5A (0.47) | NPC1RAB9ASMN1; SMN2LMNATP53 |
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 |