Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | CA1 | P00915 | 5/20 | 0.73 |
| ▸ | CA2 | P00918 | 5/20 | 0.73 |
| ▸ | CA9 | Q16790 | 5/20 | 0.73 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CA12 | O43570 | 3/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11880873 | 0.85 | CA1 (0.74) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL29609330 | 0.84 | KMT2A (0.73) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL28568182 | 0.84 | ALDH1A1 (0.79) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL29385160 | 0.84 | ALDH1A1 (0.79) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL13162412 | 0.83 | SMN1; SMN2 (0.82) | ALDH1A1LMNAKMT2AMEN1POLB | |
| SCHEMBL28573216 | 0.82 | CA2 (0.70) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL30165930 | 0.82 | CA2 (0.70) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL6046379 | 0.81 | MEN1 (0.90) | CA1CA2CA9CA12KMT2A | |
| SCHEMBL11807861 | 0.80 | MEN1 (0.87) | CA1CA2CA9CA12KMT2A | |
| SCHEMBL11707705 | 0.78 | HPGD (0.62) | ALDH1A1LMNAKMT2AMEN1POLB |
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-112979571-B | AKR1C3 selective inhibitor, preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-112979571-A | AKR1C3 selective inhibitor, preparation method and application thereof | 中国药科大学 | 2021-06-18 | — | — | CN | disclosed |