Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.83 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.83 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.83 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA6 | P23280 | 4/20 | 0.47 |
| ▸ | CA7 | P43166 | 4/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29003171 | 0.91 | AKR1C4 (1.00) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL29003272 | 0.85 | AKR1C4 (0.89) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL29003201 | 0.82 | AKR1C4 (0.81) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL30995677 | 0.82 | AKR1C4 (0.81) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL29003187 | 0.79 | AKR1C4 (0.76) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL30995676 | 0.79 | AKR1C4 (0.76) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL29003151 | 0.76 | AKR1C4 (0.73) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL29003180 | 0.74 | AKR1C4 (0.71) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL29003169 | 0.73 | AKR1C4 (0.70) | AKR1C4AKR1C3AKR1C2AKR1C1CA12 | |
| SCHEMBL25408295 | 0.72 | ALDH1A1 (0.69) | ALDH1A1MAPTNPSR1HSD17B10CYP1A2 |
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 |