Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | STK17B | O94768 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29634282 | 1.00 | PARP1 (0.46) | PARP1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL28532501 | 0.92 | PARP1 (0.43) | PARP1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL29634337 | 0.92 | PARP1 (0.43) | PARP1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL28531562 | 0.90 | PARP1 (0.43) | PARP1KMT2AMEN1STK17BPDE5A | |
| SCHEMBL29634185 | 0.90 | PARP1 (0.43) | PARP1KMT2AMEN1STK17BPDE5A | |
| SCHEMBL28738398 | 0.90 | PARP1 (0.43) | PARP1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL29634216 | 0.90 | PARP1 (0.43) | PARP1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL26119 | 0.85 | PARP1 (0.64) | PARP1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL29634128 | 0.78 | ALDH1A1 (0.34) | PARP1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL28523387 | 0.78 | ALDH1A1 (0.34) | PARP1KMT2AMEN1ALDH1A1KDM4E |
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 |