Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.52 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | PLAT | P00750 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 5/20 | 0.43 |
| ▸ | PRKACG | P22612 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23652014 | 0.84 | CYP3A4 (0.55) | CYP3A4GRM4TLR8MAOAALOX5 | |
| SCHEMBL24411225 | 0.84 | CYP3A4 (0.55) | CYP3A4GRM4TLR8MAPTPLAU | |
| SCHEMBL2329005 | 0.84 | CYP3A4 (0.55) | CYP3A4GRM4TLR8PLAUPLAT | |
| SCHEMBL19968424 | 0.84 | CYP3A4 (0.57) | CYP3A4GRM4TLR8MAOAALOX5 | |
| SCHEMBL28665368 | 0.84 | CYP3A4 (0.51) | CYP3A4GRM4P2RY14PLAUPLAT | |
| SCHEMBL29214660 | 0.83 | CYP3A4 (0.51) | CYP3A4GRM4TLR8MAOAALOX5 | |
| SCHEMBL30153587 | 0.80 | CYP3A4 (0.58) | CYP3A4GRM4TLR8CYP4F2CYP4A11 | |
| SCHEMBL3839146 | 0.80 | TLR8 (0.60) | CYP3A4TLR8METPRKACG | |
| SCHEMBL311094 | 0.80 | CYP3A4 (0.58) | CYP3A4GRM4TLR8CYP4F2CYP4A11 | |
| SCHEMBL23743005 | 0.77 | SLC2A1 (0.41) | CYP3A4GRM4TLR8P2RY14PLAU |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115872976-B | Quinoline derivative, pharmaceutical composition containing quinoline derivative and application of pharmaceutical composition | 中国药科大学 | 2024-05-14 | — | — | CN | disclosed |
| CN-115872976-A | Quinoline derivative, pharmaceutical composition containing quinoline derivative and application of quinoline derivative | 中国药科大学 | 2023-03-31 | — | — | CN | disclosed |