Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 5/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25246799 | 1.00 | THRB (0.35) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25769126 | 0.94 | THRB (0.39) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25769196 | 0.93 | THRB (0.42) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30460704 | 0.93 | THRB (0.42) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL31301026 | 0.88 | THRB (0.47) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25769194 | 0.88 | DHODH (0.36) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25768637 | 0.88 | THRB (0.47) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30511685 | 0.88 | DHODH (0.36) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30460745 | 0.88 | THRB (0.37) | THRBTHRACYP2C9PLA2G2AKDM4E | |
| SCHEMBL30460701 | 0.84 | THRB (0.45) | THRBTHRACYP2C9UGT1A1ABCG2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4458820-A1 | CLASS OF QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2024-11-06 | — | — | EP | disclosed |
| 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 |
| 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 |