Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 19/20 | 0.53 |
| ▸ | THRA | P10827 | 16/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | SLCO1B1 | Q9Y6L6 | 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 | |
|---|---|---|---|---|
| SCHEMBL30460687 | 1.00 | THRB (0.53) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL31300946 | 0.89 | THRB (0.49) | THRBTHRACYP2C9CYP2C8 | |
| SCHEMBL25768629 | 0.89 | THRB (0.49) | THRBTHRACYP2C9CYP2C8 | |
| SCHEMBL23042578 | 0.88 | THRA (0.54) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL25873840 | 0.87 | THRB (0.53) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL29612524 | 0.87 | THRB (0.53) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL22633008 | 0.86 | THRB (0.54) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL25247755 | 0.86 | THRB (0.51) | THRBTHRACYP2C9CYP2C8UGT1A1 | |
| SCHEMBL30460689 | 0.86 | THRB (0.51) | THRBTHRACYP2C9CYP2C8UGT1A1 | |
| SCHEMBL30460733 | 0.85 | THRA (0.52) | THRBTHRACYP2C9CYP2C8NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125716-A1 | CLASS OF QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国科学院上海药物研究所 | 2023-07-06 | — | — | WO | disclosed |
| CN-116354934-A | Quinoline compound, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2023-06-30 | — | — | CN | disclosed |