Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 16/20 | 0.45 |
| ▸ | THRA | P10827 | 9/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30511676 | 1.00 | THRB (0.45) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL31301026 | 0.93 | THRB (0.47) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25768637 | 0.93 | THRB (0.47) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30460746 | 0.92 | THRB (0.46) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25250784 | 0.92 | THRB (0.46) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25288233 | 0.91 | THRB (0.44) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25293745 | 0.91 | THRB (0.44) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30511674 | 0.91 | THRB (0.44) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL25246150 | 0.91 | THRB (0.44) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30511666 | 0.91 | THRB (0.44) | 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 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 |
| 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 |