Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30361600 | 0.85 | CA1 (0.52) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL23003739 | 0.85 | CA1 (0.52) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL14650861 | 0.79 | ALDH1A1 (0.46) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL25094758 | 0.79 | ACHE (0.46) | ALDH1A1MAPK1KIF11L3MBTL1CYP3A4 | |
| SCHEMBL14650857 | 0.78 | CA1 (0.53) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL29427094 | 0.78 | CA1 (0.53) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL625781 | 0.78 | CA1 (0.53) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL29824423 | 0.78 | CA1 (0.57) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL4661 | 0.78 | CA1 (0.57) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL13623124 | 0.78 | CA1 (0.57) | CA1CA2CA5ACA9ALDH1A1 |
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-113727758-A | Bicyclic heterocyclic compounds and use thereof | 锐新医药公司 | 2021-11-30 | — | — | CN | disclosed |