Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.59 |
| ▸ | MPL | P40238 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.44 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.44 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8042956 | 0.85 | AKR1C3 (0.58) | AKR1C3LMNAMAPTHPGDHTT | |
| SCHEMBL5004361 | 0.85 | AKR1C3 (0.58) | AKR1C3LMNAMAPTHPGDHTT | |
| SCHEMBL8746676 | 0.84 | AKR1C3 (0.76) | AKR1C3MPLTBXAS1SLC9A1SLC9A3 | |
| SCHEMBL8746678 | 0.84 | AKR1C3 (0.76) | AKR1C3MPLTBXAS1SLC9A1SLC9A3 | |
| SCHEMBL9636925 | 0.80 | HDAC8 (0.44) | SLC9A1SLC9A3SLC9A2RXRARXRB | |
| SCHEMBL2005648 | 0.79 | AKR1C3 (0.62) | AKR1C3MPLTBXAS1MAPTHPGD | |
| SCHEMBL2005650 | 0.79 | AKR1C3 (0.62) | AKR1C3MPLTBXAS1MAPTHPGD | |
| SCHEMBL10427712 | 0.78 | ALDH1A1 (0.56) | SLC9A1SLC9A3SLC9A2RXRARXRB | |
| SCHEMBL799992 | 0.78 | ALDH1A1 (0.56) | SLC9A1SLC9A3SLC9A2RXRARXRB | |
| SCHEMBL2419606 | 0.77 | AKR1C3 (0.66) | AKR1C3TBXAS1SLC9A1SLC9A3SLC9A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111253236-B | Preparation method of high-quality para-lilial | 宿迁科思化学有限公司 | 2022-11-18 | — | — | CN | disclosed |