Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30474632 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CHEK1KMT2AMEN1GAA | |
| SCHEMBL6670825 | 0.86 | KMT2A (0.50) | ALDH1A1CHEK1KMT2AMEN1GAA | |
| SCHEMBL359579 | 0.84 | HSD17B1 (0.50) | ALDH1A1CHEK1KMT2AMEN1GAA | |
| SCHEMBL11522450 | 0.80 | KMT2A (0.51) | ALDH1A1KMT2AMEN1GAAMAPT | |
| SCHEMBL31350539 | 0.80 | SMN1; SMN2 (0.48) | ALDH1A1KMT2AMAPTKDM4EGPR35 | |
| SCHEMBL6113932 | 0.80 | AR (0.42) | KMT2AGPR35 | |
| SCHEMBL25263510 | 0.79 | TP53 (0.52) | ALDH1A1CHEK1KMT2AMEN1GAA | |
| SCHEMBL14025078 | 0.79 | POLB (0.53) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL11172727 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL16088606 | 0.78 | KMT2A (0.65) | ALDH1A1CHEK1KMT2AMEN1GAA |
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-116217437-A | Dacotinib intermediate, dacotinib and preparation method of Dacotinib | 沈阳药科大学 | 2023-06-06 | — | — | CN | claimed |
| CN-116217437-A | Dacotinib intermediate, dacotinib and preparation method of Dacotinib | 沈阳药科大学 | 2023-06-06 | — | — | CN | disclosed |