Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 4/20 | 0.55 |
| ▸ | ACHE | P22303 | 8/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL30632987 | 1.00 | GRM1 (0.55) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL29120937 | 0.89 | ALDH1A1 (0.46) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL1500160 | 0.79 | GRM1 (0.52) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL13597817 | 0.79 | GRM1 (0.46) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL8350087 | 0.79 | GRM1 (0.52) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL26628020 | 0.77 | GRM1 (0.43) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL30588965 | 0.76 | MAPT (0.38) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL22744378 | 0.76 | MAPT (0.38) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL8350623 | 0.75 | GRM1 (0.45) | GRM1ACHETP53CYP3A4MAPK1 | |
| SCHEMBL1654621 | 0.74 | GRM1 (0.53) | GRM1ACHETP53CYP3A4MAPK1 |
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 |