Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 17/20 | 0.45 |
| ▸ | THRB | P10828 | 17/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL31301014 | 1.00 | THRA (0.45) | THRATHRBCYP2C8CYP2C9AR | |
| SCHEMBL31300992 | 0.92 | THRB (0.46) | THRATHRBCYP2C8CYP2C9NPC1 | |
| SCHEMBL31301037 | 0.92 | THRB (0.46) | THRATHRBCYP2C8CYP2C9NPC1 | |
| SCHEMBL25768400 | 0.92 | THRB (0.46) | THRATHRBCYP2C8CYP2C9NPC1 | |
| SCHEMBL31301029 | 0.91 | THRB (0.45) | THRATHRBCYP2C8CYP2C9NPC1 | |
| SCHEMBL25768404 | 0.91 | THRB (0.45) | THRATHRBCYP2C8CYP2C9NPC1 | |
| SCHEMBL25768243 | 0.90 | THRA (0.48) | THRATHRBCYP2C8CYP2C9AR | |
| SCHEMBL30460729 | 0.90 | THRA (0.48) | THRATHRBCYP2C8CYP2C9AR | |
| SCHEMBL25291510 | 0.89 | THRB (0.43) | THRATHRBCYP2C8CYP2C9DRD1 | |
| SCHEMBL30460721 | 0.89 | THRB (0.43) | THRATHRBCYP2C8CYP2C9DRD1 |
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 1 patent. 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 |