Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.35 |
| ▸ | GNG2 | P59768 | 1/20 | 0.35 |
| ▸ | GNB1 | P62873 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29003174 | 0.77 | SMYD3 (0.38) | EPHX2GSK3BPTPN1SMYD3CRBN | |
| SCHEMBL7436029 | 0.77 | PGR (0.45) | GSK3BPTPN1 | |
| SCHEMBL2224458 | 0.76 | GSK3B (0.46) | GSK3BPTPN1GNG2GNB1 | |
| SCHEMBL1198034 | 0.75 | CRBN (0.51) | EPHX2SMYD3CRBNGRIN2B | |
| SCHEMBL7412401 | 0.75 | GSK3B (0.39) | GSK3BPTPN1ALDH1A1MEN1KMT2A | |
| SCHEMBL9367565 | 0.74 | ALDH1A1 (0.50) | EPHX2GSK3BSMYD3ALDH1A1MAPT | |
| SCHEMBL6287035 | 0.74 | ALDH1A1 (0.50) | EPHX2GSK3BSMYD3ALDH1A1MAPT | |
| SCHEMBL9366168 | 0.74 | ALDH1A1 (0.50) | EPHX2GSK3BSMYD3ALDH1A1MAPT | |
| SCHEMBL1347279 | 0.74 | AHR (0.46) | CRBNMAPTMEN1KMT2A | |
| SCHEMBL1345109 | 0.74 | CA9 (0.49) | CRBN |
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-115974850-B | Compound serving as AKR1C3 inhibitor as well as preparation method and application thereof | 中国药科大学 | 2024-08-06 | — | — | CN | disclosed |
| CN-115974850-A | Compound serving as AKR1C3 inhibitor and preparation method and application thereof | 中国药科大学 | 2023-04-18 | — | — | CN | disclosed |