Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28818947 | 0.82 | AKR1C3 (0.47) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL22914709 | 0.82 | FABP4 (0.53) | AKR1C3AKR1C2CYP2C19KDM4ELMNA | |
| SCHEMBL25449209 | 0.79 | AKR1C3 (0.66) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL22169183 | 0.78 | CYP3A4 (0.52) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL7363965 | 0.77 | AKR1C3 (0.50) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL31087257 | 0.77 | POLB (0.64) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL522766 | 0.77 | AKR1C3 (0.50) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL27900539 | 0.77 | AKR1C3 (0.50) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL848499 | 0.77 | POLB (0.64) | AKR1C3AKR1C2PDK1PDK2PDK3 | |
| SCHEMBL28818957 | 0.76 | AKR1C3 (0.43) | AKR1C3AKR1C2PDK1PDK2PDK3 |
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-114634442-A | Preparation method of tetrahydrocarbazolone compound | 内蒙古民族大学 | 2022-06-17 | — | — | CN | disclosed |