Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GLS | O94925 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8533004 | 0.81 | GLS (0.50) | CA12CA9GLS | |
| SCHEMBL29486825 | 0.81 | CASP3 (0.45) | CASP3CA12CA9ALDH1A1GLS | |
| SCHEMBL28720232 | 0.81 | CASP3 (0.45) | CASP3CA12CA9ALDH1A1GLS | |
| SCHEMBL22918274 | 0.81 | CASP3 (0.45) | CASP3CA12CA9ALDH1A1GLS | |
| SCHEMBL4017572 | 0.81 | ALDH1A1 (0.55) | CASP3CA12CA9ALDH1A1GLS | |
| SCHEMBL16623099 | 0.78 | ALDH1A1 (0.51) | CASP3CA12CA9ALDH1A1GLS | |
| SCHEMBL11109119 | 0.77 | CASP3 (0.42) | CASP3CA12CA9ALDH1A1KDM4E | |
| SCHEMBL4476083 | 0.77 | CASP3 (0.60) | CASP3CA12CA9ALDH1A1GLS | |
| SCHEMBL4468251 | 0.77 | CASP3 (0.60) | CASP3CA12CA9ALDH1A1GLS | |
| SCHEMBL8950475 | 0.77 | CASP3 (0.60) | CASP3CA12CA9ALDH1A1GLS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024217500-A1 | ISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2024-10-24 | — | — | WO | disclosed |
| CN-118359538-A | Isoquinoline compound, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2024-07-19 | — | — | CN | disclosed |