Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CHAT | P28329 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28313824 | 0.79 | TLR8 (0.40) | CYP19A1MAOAMAOBTLR8KDM4E | |
| SCHEMBL27635492 | 0.78 | CYP19A1 (0.46) | CYP19A1MAOAMAOBTLR8KDM4E | |
| SCHEMBL27637357 | 0.78 | TLR8 (0.40) | CYP19A1MAOAMAOBTLR8KDM4E | |
| SCHEMBL28312947 | 0.76 | CYP19A1 (0.48) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL28274381 | 0.75 | CYP19A1 (0.42) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| 1-Pentanol SCHEMBL27870833 | 0.74 | CYP19A1 (0.41) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| (Z)-1,2-Diphenylethene SCHEMBL28882092 | 0.73 | RELA (0.54) | CYP19A1MAOAMAOBEGFRCHAT | |
| Hexane SCHEMBL28005106 | 0.72 | CHAT (0.44) | CYP19A1MAOAMAOBGRM4EGFR | |
| SCHEMBL7052951 | 0.71 | CHAT (0.46) | EGFRCNR1CHATTP53MAPT | |
| SCHEMBL6470750 | 0.71 | AHR (0.49) | CYP19A1HPGDEGFRTTRALOX5 |
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 |