Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.58 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 7/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30626957 | 1.00 | AKR1C3 (0.58) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL30626963 | 0.92 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL29114159 | 0.92 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL30626964 | 0.83 | HPGD (0.56) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL29114185 | 0.83 | HPGD (0.56) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL30626951 | 0.81 | FTO (0.72) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL29114186 | 0.81 | FTO (0.72) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL29149160 | 0.78 | HPGD (0.55) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL38655536 | 0.74 | FTO (0.70) | AKR1C3AKR1C2AKR1C1HPGDKDM4E | |
| SCHEMBL312255 | 0.74 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C1HPGDKDM4E |
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-116947799-B | Phenolic compound, preparation method and medical application thereof | 上海泽德曼医药科技有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-116947799-A | Phenolic compound, preparation method and medical application thereof | 上海泽德曼医药科技有限公司 | 2023-10-27 | — | — | CN | disclosed |