Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 18/20 | 0.48 |
| ▸ | THRA | P10827 | 17/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 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 | |
|---|---|---|---|---|
| SCHEMBL25294071 | 1.00 | THRB (0.48) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL30460702 | 0.93 | THRB (0.49) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL25291901 | 0.93 | THRB (0.49) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL25768317 | 0.92 | THRA (0.47) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL30460750 | 0.92 | THRA (0.47) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL25768246 | 0.92 | THRA (0.49) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL30460753 | 0.92 | THRA (0.49) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL30460739 | 0.91 | THRB (0.47) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL30460707 | 0.91 | THRA (0.49) | THRBTHRACYP2C9CYP2C8NPC1 | |
| SCHEMBL25768248 | 0.91 | THRA (0.49) | 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 |
|---|---|---|---|---|---|---|---|
| CN-118871435-A | Quinoline compound, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2024-10-29 | — | — | CN | 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 |