Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CHAT | P28329 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27589735 | 0.87 | CYP19A1 (0.47) | CYP19A1MAOAMAOBGRM4NFE2L2 | |
| SCHEMBL28265218 | 0.85 | GRM4 (0.47) | CYP19A1MAOAMAOBGRM4NFE2L2 | |
| SCHEMBL29428982 | 0.79 | MAOB (0.47) | CYP19A1MAOAMAOBGRM4NFE2L2 | |
| SCHEMBL1230308 | 0.79 | MAOB (0.47) | CYP19A1MAOAMAOBGRM4NFE2L2 | |
| SCHEMBL1230310 | 0.79 | MAOB (0.47) | CYP19A1MAOAMAOBGRM4NFE2L2 | |
| SCHEMBL28265623 | 0.78 | GRM4 (0.47) | CYP19A1MAOAMAOBGRM4NFE2L2 | |
| Toluene SCHEMBL27514878 | 0.75 | NFE2L2 (0.46) | CYP19A1MAOAMAOBGRM4NFE2L2 | |
| SCHEMBL5964838 | 0.75 | MAOB (0.48) | CYP19A1MAOAMAOBGRM4NFE2L2 | |
| SCHEMBL4328050 | 0.75 | CHAT (0.49) | MAOBGRM4NFE2L2TRPA1KDM4E | |
| SCHEMBL133219 | 0.75 | NFE2L2 (0.50) | CYP19A1MAOAMAOBGRM4NFE2L2 |
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-110218160-A | A kind of quinine acid derivative and the preparation method and application thereof | 暨南大学 | 2019-09-10 | — | — | CN | claimed |
| CN-110218160-A | A kind of quinine acid derivative and the preparation method and application thereof | 暨南大学 | 2019-09-10 | — | — | CN | disclosed |