Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 4/20 | 1.00 |
| ▸ | ACHE | P22303 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30632945 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CYP1A2ACHEKDM4EHPGD | |
| SCHEMBL9584702 | 0.80 | ACHE (0.82) | ALDH1A1CYP1A2ACHEKDM4EHPGD | |
| SCHEMBL17054088 | 0.75 | CYP1A2 (0.60) | ALDH1A1CYP1A2ACHEKDM4EHPGD | |
| SCHEMBL29661981 | 0.75 | CYP1A2 (0.60) | ALDH1A1CYP1A2ACHEKDM4EHPGD | |
| SCHEMBL3288428 | 0.73 | ALDH1A1 (0.57) | ALDH1A1CYP1A2ACHEKDM4EHPGD | |
| SCHEMBL9215322 | 0.71 | ACHE (1.00) | ALDH1A1CYP1A2ACHEKDM4EHSD17B10 | |
| SCHEMBL28554567 | 0.69 | ALDH1A1 (0.53) | ALDH1A1CYP1A2ACHEKDM4EHPGD | |
| SCHEMBL12442826 | 0.69 | BCHE (0.65) | ALDH1A1CYP1A2ACHEKDM4EHPGD | |
| SCHEMBL527199 | 0.69 | ACHE (0.65) | ALDH1A1CYP1A2ACHEKDM4EMAPT | |
| SCHEMBL31678400 | 0.69 | GPR3 (0.58) | ALDH1A1CYP1A2ACHEKDM4EHPGD |
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-117003760-A | Preparation method of quinoline condensed ring derivative | 广东工业大学 | 2023-11-07 | — | — | CN | disclosed |