Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 16/20 | 0.44 |
| ▸ | THRA | P10827 | 15/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL31300999 | 1.00 | THRB (0.44) | THRBTHRACYP2C8CYP2C9BCAT1 | |
| SCHEMBL30460702 | 0.95 | THRB (0.49) | THRBTHRACYP2C8CYP2C9BCAT1 | |
| SCHEMBL25291901 | 0.95 | THRB (0.49) | THRBTHRACYP2C8CYP2C9BCAT1 | |
| SCHEMBL30460745 | 0.93 | THRB (0.37) | THRBTHRACYP2C8CYP2C9SMN1; SMN2 | |
| SCHEMBL25768247 | 0.91 | THRA (0.48) | THRBTHRACYP2C8CYP2C9NPC1 | |
| SCHEMBL30460697 | 0.91 | THRA (0.48) | THRBTHRACYP2C8CYP2C9NPC1 | |
| SCHEMBL25768246 | 0.89 | THRA (0.49) | THRBTHRACYP2C8CYP2C9NPC1 | |
| SCHEMBL30460753 | 0.89 | THRA (0.49) | THRBTHRACYP2C8CYP2C9NPC1 | |
| SCHEMBL31301011 | 0.89 | THRB (0.39) | THRBTHRACYP2C8CYP2C9SMN1; SMN2 | |
| SCHEMBL30460704 | 0.88 | THRB (0.42) | THRBTHRACYP2C9MAPTSMN1; SMN2 |
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 |