Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 5/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31083696 | 0.93 | PRKAB2 (0.41) | CA1CA2CA9CA14CA12 | |
| SCHEMBL31083805 | 0.93 | PRKAB2 (0.42) | CA1CA2CA9CA14CA12 | |
| SCHEMBL31070447 | 0.91 | PRKAB2 (0.38) | GHSRCDK4CCND1PAX8MEN1 | |
| SCHEMBL31083719 | 0.91 | HSD11B1 (0.47) | CA1CA2CA9CA14CA12 | |
| SCHEMBL30593229 | 0.89 | ESR1 (0.39) | CA1CA2CA9CA14CA12 | |
| SCHEMBL31083773 | 0.89 | PDE4D (0.47) | CA1CA2CA9CA14CA12 | |
| SCHEMBL31083768 | 0.87 | HSD17B3 (0.45) | CA1CA2CA9CA14CA12 | |
| SCHEMBL31083700 | 0.86 | GRIN2C (0.42) | CA1CA2CA9CA14CA12 | |
| SCHEMBL31070609 | 0.85 | PRKAB2 (0.42) | GHSRSCN9ACDK4CCND1PAX8 | |
| SCHEMBL31070454 | 0.84 | PRKAB2 (0.43) | LMNA |
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-118742543-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-10-01 | — | — | CN | disclosed |