Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | PTPRC | P08575 | 3/20 | 0.41 |
| ▸ | S100A4 | P26447 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29634172 | 1.00 | KDM4E (0.46) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL29634299 | 0.91 | KDM4E (0.45) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL28525296 | 0.91 | KDM4E (0.45) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL29634280 | 0.88 | KDM4E (0.44) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL28523595 | 0.88 | KDM4E (0.44) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL28524800 | 0.87 | KDM4E (0.43) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL29634193 | 0.87 | KDM4E (0.43) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL29634305 | 0.82 | KDM4E (0.49) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL28528674 | 0.82 | KDM4E (0.49) | KDM4ECYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL28738398 | 0.77 | PARP1 (0.43) | KDM4ECYP3A4TDP1MEN1KMT2A |
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-112442022-B | Benzoxazine-4-ketone compound, preparation method and medical application thereof | 承德医学院 | 2022-05-20 | — | — | CN | disclosed |
| CN-112442022-A | Benzoxazine-4-ketone compound, preparation method and medical application thereof | 承德医学院 | 2021-03-05 | — | — | CN | disclosed |