Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | TNKS2 | Q9H2K2 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.43 |
| ▸ | CARM1 | Q86X55 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28992947 | 1.00 | ALDH1A1 (0.67) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL28992948 | 0.90 | ALDH1A1 (0.69) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL30230329 | 0.90 | ALDH1A1 (0.69) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL30230074 | 0.90 | ALDH1A1 (0.76) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL28992949 | 0.90 | ALDH1A1 (0.76) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL30230638 | 0.89 | ALDH1A1 (0.71) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL28992907 | 0.89 | ALDH1A1 (0.71) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL28992919 | 0.88 | ALDH1A1 (0.69) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL28992915 | 0.88 | ALDH1A1 (0.69) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL30230002 | 0.88 | ALDH1A1 (0.69) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 |
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-115872939-A | 2,3-dihydroquinazoline-4 (1H) -ketone derivative and preparation and application thereof | 武汉科技大学 | 2023-03-31 | — | — | CN | disclosed |