Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 2/20 | 0.34 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | CCR1 | P32246 | 2/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873094 | 0.87 | AKR1B1 (0.36) | SCN9ACYP19A1 | |
| SCHEMBL28873102 | 0.84 | GAA (0.40) | ADAM17EDNRBEDNRATP53CYP19A1 | |
| SCHEMBL28873112 | 0.81 | GAA (0.40) | ADAM17EDNRBEDNRATP53 | |
| SCHEMBL28873098 | 0.81 | SLC6A1 (0.32) | ADAMTS5SCN9ANPSR1 | |
| SCHEMBL28873105 | 0.76 | SLC6A4 (0.36) | SCN9A | |
| SCHEMBL28873101 | 0.75 | OPRM1 (0.32) | ADAM17ADAMTS5 | |
| SCHEMBL28873099 | 0.72 | PGR (0.43) | NPSR1HTR2A | |
| SCHEMBL28873109 | 0.71 | PRMT5 (0.40) | SCN9ANPSR1 | |
| SCHEMBL28873110 | 0.70 | ADORA2B (0.31) | ADAM17 | |
| SCHEMBL28873132 | 0.69 | PRMT5 (0.33) | MMP3ADAMTS5SCN9A |
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 |