Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29284765 | 1.00 | FGFR1 (0.43) | FGFR1NLRP3PSMB5ADORA3ADORA2A | |
| SCHEMBL29284766 | 0.84 | KDM4E (0.44) | ADORA3ALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL26078897 | 0.70 | NLRP3 (0.47) | FGFR1NLRP3PSMB5ADORA3ADORA2A | |
| SCHEMBL29284763 | 0.69 | PTGES (0.36) | ALDH1A1HPGDTLR7MAPTSMN1; SMN2 | |
| SCHEMBL26078907 | 0.69 | KDM4E (0.52) | ADORA3ADORA2AALDH1A1HPGDHTT | |
| SCHEMBL18644116 | 0.69 | PSMB5 (0.55) | PSMB5ADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL16303710 | 0.69 | KDM4E (0.42) | FGFR1NLRP3PSMB5ADORA3ADORA2A | |
| SCHEMBL20799500 | 0.68 | PSMB5 (0.50) | PSMB5ADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL29284762 | 0.68 | FGFR1 (0.47) | FGFR1ALDH1A1HPGDHTTMAPT | |
| SCHEMBL9159351 | 0.67 | PSMB5 (0.49) | PSMB5ADORA3ADORA2AADORA1ALDH1A1 |
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-118221684-A | Method for preparing quinoxaline derivative through HFIP-promoted defluorination cyclization reaction of difluoro carbene reagent | 陕西科技大学 | 2024-06-21 | — | — | CN | disclosed |