Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 5/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GNG2 | P59768 | 1/20 | 0.43 |
| ▸ | GNB1 | P62873 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1198034 | 0.91 | CRBN (0.51) | AKR1C4AKR1C3AKR1C2AKR1C1CRBN | |
| SCHEMBL29003200 | 0.89 | AKR1C4 (0.49) | AKR1C4AKR1C3AKR1C2AKR1C1MAPT | |
| SCHEMBL5467106 | 0.86 | MAPT (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1MAPT | |
| SCHEMBL2306726 | 0.84 | EPHX2 (0.59) | EPHX2SMYD3GRIN2BHDAC3HTR1A | |
| SCHEMBL8546755 | 0.83 | AKR1C4 (0.49) | AKR1C4AKR1C3AKR1C2AKR1C1MAPT | |
| SCHEMBL940361 | 0.82 | MAPT (0.62) | AKR1C4AKR1C3AKR1C2AKR1C1MAPT | |
| SCHEMBL3605158 | 0.79 | CA9 (0.51) | MAPTCRBNSMYD3 | |
| SCHEMBL11215661 | 0.79 | KDM4E (0.68) | MAPTGNG2GNB1GSK3BKDM4E | |
| SCHEMBL1182899 | 0.78 | ALDH1A1 (0.61) | MAPTGNG2GNB1GSK3B | |
| SCHEMBL29003189 | 0.78 | MAPK1 (0.40) | AKR1C4AKR1C3AKR1C2AKR1C1MAPT |
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 |