Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PTPRC | P08575 | 3/20 | 0.45 |
| ▸ | S100A4 | P26447 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29634212 | 1.00 | CYP3A4 (0.53) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL3029707 | 0.88 | ALDH1A1 (0.53) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL29634204 | 0.83 | CYP3A4 (0.48) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL28520051 | 0.83 | CYP3A4 (0.48) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL28524406 | 0.81 | CYP3A4 (0.46) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL29634252 | 0.81 | CYP3A4 (0.46) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL28525814 | 0.80 | ALDH1A1 (0.56) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL8130642 | 0.80 | CYP3A4 (0.48) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL28525810 | 0.79 | ALDH1A1 (0.58) | CYP3A4TDP1CASP3CAPN9MEN1 | |
| SCHEMBL30969606 | 0.76 | TGM2 (0.42) | MEN1KMT2AALDH1A1S100A4MAPT |
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 |