Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | PTPRC | P08575 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28523387 | 1.00 | ALDH1A1 (0.34) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28738398 | 0.80 | PARP1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL29634216 | 0.80 | PARP1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL29634282 | 0.78 | PARP1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28520053 | 0.78 | PARP1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL11339213 | 0.76 | PARP1 (0.37) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28532501 | 0.76 | PARP1 (0.43) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL29634337 | 0.76 | PARP1 (0.43) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL5626972 | 0.75 | PARP1 (0.56) | ALDH1A1TDP1KDM4EHSD17B10MEN1 | |
| SCHEMBL26119 | 0.75 | PARP1 (0.64) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 |
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-112442022-B | Benzoxazine-4-ketone compound, preparation method and medical application thereof | 承德医学院 | 2022-05-20 | — | — | CN | disclosed |