Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.38 |
| ▸ | GNG2 | P59768 | 1/20 | 0.38 |
| ▸ | GNB1 | P62873 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
| ▸ | PYGM | P11217 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17713638 | 0.87 | EPHX2 (0.39) | SMYD3EPHX2GNG2GNB1GSK3B | |
| Bicarbonate SCHEMBL10758307 | 0.80 | SMYD3 (0.38) | SMYD3CRBNPYGLPYGMSIRT2 | |
| SCHEMBL1198034 | 0.78 | CRBN (0.51) | SMYD3EPHX2CRBNGRIN2BAKR1C4 | |
| SCHEMBL29003160 | 0.77 | EPHX2 (0.38) | SMYD3EPHX2CRBNGNG2GNB1 | |
| SCHEMBL10647393 | 0.77 | KMO (0.45) | SMYD3CRBNPYGLPYGMSIRT2 | |
| SCHEMBL1347544 | 0.76 | BRD4 (0.49) | CRBNMEN1KMT2APDE3BPDE3A | |
| SCHEMBL29003155 | 0.76 | AKR1C4 (0.51) | SMYD3EPHX2CRBNGNG2GNB1 | |
| SCHEMBL7436029 | 0.74 | PGR (0.45) | GSK3BPTPN1 | |
| SCHEMBL6747710 | 0.74 | ALDH1A1 (0.44) | SMYD3EPHX2GSK3BGRIN2BPYGL | |
| SCHEMBL2306726 | 0.74 | EPHX2 (0.59) | SMYD3EPHX2GRIN2BHTR1ADRD2 |
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 |