Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.58 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29003144 | 0.88 | AKR1C4 (0.58) | AKR1C4AKR1C3AKR1C2AKR1C1SMN1; SMN2 | |
| SCHEMBL29003167 | 0.80 | AKR1C4 (0.67) | AKR1C4AKR1C3AKR1C2AKR1C1RAB9A | |
| SCHEMBL15427006 | 0.76 | EPHX2 (0.62) | AKR1C4AKR1C3AKR1C2AKR1C1NPC1 | |
| SCHEMBL29003184 | 0.76 | HTR1A (0.46) | AKR1C4AKR1C3AKR1C2AKR1C1HTR1A | |
| SCHEMBL5467106 | 0.74 | MAPT (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1NPC1 | |
| SCHEMBL29003155 | 0.74 | AKR1C4 (0.51) | AKR1C4AKR1C3AKR1C2AKR1C1KDM4E | |
| SCHEMBL29003171 | 0.73 | AKR1C4 (1.00) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL9170969 | 0.73 | ALDH1A1 (0.59) | AKR1C4AKR1C3AKR1C2AKR1C1RAB9A | |
| SCHEMBL29003169 | 0.72 | AKR1C4 (0.70) | AKR1C4AKR1C3AKR1C2AKR1C1EPHX2 | |
| SCHEMBL29003200 | 0.72 | AKR1C4 (0.49) | AKR1C4AKR1C3AKR1C2AKR1C1KDM4E |
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 |