Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28970499 | 0.87 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HSD17B10AKR1C3AKR1C2 | |
| SCHEMBL15918366 | 0.83 | NPSR1 (0.46) | ALDH1A1CES2CES1PPARGPPARA | |
| SCHEMBL28970488 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL15917983 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP3A4KDM4EHPGDCYP2C19 | |
| SCHEMBL4014931 | 0.81 | ALDH1A1 (0.62) | ALDH1A1CYP3A4KDM4EHPGDHSD17B10 | |
| SCHEMBL28946649 | 0.80 | CYP3A4 (0.45) | ALDH1A1CYP3A4PPARGPPARAHPGD | |
| SCHEMBL28970489 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP3A4KDM4EHPGDCYP2C19 | |
| SCHEMBL28803341 | 0.79 | MAPT (0.49) | ALDH1A1CYP3A4HSD17B10ACP3AKR1C3 | |
| SCHEMBL28970480 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CYP3A4KDM4EHPGDHSD17B10 | |
| SCHEMBL28970502 | 0.77 | TSHR (0.53) | ALDH1A1CYP3A4KDM4EHSD17B10 |
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-114478627-B | Allylated monophosphine ligand and preparation method thereof | 湖北大学 | 2023-06-20 | — | — | CN | disclosed |