Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 3/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | PLAT | P00750 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL29214652 | 0.84 | CYP3A4 (0.52) | CYP3A4GRM4PLAUPLATMAOB | |
| SCHEMBL24411225 | 0.83 | CYP3A4 (0.55) | CYP3A4GRM4PLAUPLATMAOB | |
| SCHEMBL2329005 | 0.83 | CYP3A4 (0.55) | CYP3A4GRM4PLAUPLATMAOB | |
| SCHEMBL23652014 | 0.83 | CYP3A4 (0.55) | CYP3A4GRM4MAOB | |
| SCHEMBL19968424 | 0.83 | CYP3A4 (0.57) | CYP3A4GRM4MAOB | |
| SCHEMBL2700581 | 0.82 | MET (0.54) | CYP3A4 | |
| SCHEMBL29878429 | 0.82 | MET (0.54) | CYP3A4 | |
| SCHEMBL4299513 | 0.80 | KDM4E (0.43) | — | |
| SCHEMBL311094 | 0.79 | CYP3A4 (0.58) | CYP3A4GRM4PLAUPLATMAOB | |
| SCHEMBL30153587 | 0.79 | CYP3A4 (0.58) | CYP3A4GRM4PLAUPLATMAOB |
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-113788835-B | Triazole tetrazine compound containing morpholine and quinoline ring and preparation method and application thereof | 台州职业技术学院 | 2022-08-26 | — | — | CN | disclosed |
| CN-113788835-A | Triazole tetrazine compound containing morpholine and quinoline ring and preparation method and application thereof | 台州职业技术学院 | 2021-12-14 | — | — | CN | disclosed |