Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.62 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30512083 | 1.00 | ALDH1A1 (0.62) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL1702207 | 0.81 | ALDH1A1 (0.67) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL30512080 | 0.80 | DYRK1A (0.60) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL28579218 | 0.80 | DYRK1A (0.60) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL29004199 | 0.78 | NOTUM (0.53) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL13815700 | 0.77 | KMT2A (1.00) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL5630086 | 0.77 | MKNK1 (1.00) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL1853364 | 0.76 | LMNA (0.56) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL28573902 | 0.76 | ALDH1A1 (0.71) | ALDH1A1KMT2AMKNK1MKNK2MEN1 | |
| SCHEMBL6252242 | 0.74 | MKNK1 (0.68) | ALDH1A1KMT2AMKNK1MKNK2MEN1 |
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-112876482-B | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 中国药科大学 | 2023-07-28 | — | — | CN | disclosed |
| CN-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 中国药科大学 | 2021-06-01 | — | — | CN | disclosed |