Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873111 | 0.82 | CYP2C19 (0.35) | CYP2C19TSHRLMNAKMT2ASMN1; SMN2 | |
| SCHEMBL28873132 | 0.81 | PRMT5 (0.33) | CYP2C19TSHRKMT2AMMP3CYP2C9 | |
| SCHEMBL28873109 | 0.78 | PRMT5 (0.40) | CYP2C19KMT2ANPSR1CYP2C9 | |
| SCHEMBL28873098 | 0.78 | SLC6A1 (0.32) | CYP2C19TSHRKMT2ANPSR1CYP2C9 | |
| SCHEMBL11255982 | 0.75 | CYP2C19 (0.53) | CYP2C19TSHRLMNAKMT2A | |
| SCHEMBL28873100 | 0.75 | P2RX7 (0.35) | LMNAKMT2A | |
| SCHEMBL10609425 | 0.73 | ALDH1A1 (0.43) | LMNAKMT2ANPSR1ALDH1A1CYP2C9 | |
| SCHEMBL631013 | 0.72 | PDE7A (0.43) | CYP2C19TSHRNPSR1 | |
| SCHEMBL632647 | 0.70 | PDK2 (0.37) | CYP2C19KMT2AALDH1A1CYP2C9 | |
| SCHEMBL3655113 | 0.69 | ADAM17 (0.59) | MMP2MMP3MMP9ALDH1A1CYP2C9 |
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-110372625-B | Method for preparing 4-alkyl methyl-4-aryl-1,3-benzoxazine-2 (4H) -ketone by blue light irradiation | 常州大学 | 2022-11-01 | — | — | CN | disclosed |