Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA4 | P22748 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.35 |
| ▸ | DPP4 | P27487 | 8/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL22799078 | 0.90 | F2 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3CA1 | |
| SCHEMBL2598116 | 0.85 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3CA1 | |
| SCHEMBL14108450 | 0.85 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3CA1 | |
| SCHEMBL1923137 | 0.85 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3CA1 | |
| SCHEMBL2385173 | 0.81 | CA1 (0.37) | CYP2D6CA1CA2CA4CA9 | |
| SCHEMBL22770540 | 0.81 | CHRNB2 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3CA1 | |
| SCHEMBL22770541 | 0.81 | CHRNB2 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3CA1 | |
| SCHEMBL9883365 | 0.80 | CYP2D6 (0.34) | CYP2D6SLC6A2SLC6A4SLC6A3CA1 | |
| SCHEMBL30723575 | 0.80 | CA1 (0.41) | CYP2D6CA1CA2CA4CA9 | |
| SCHEMBL10818826 | 0.79 | CA1 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110382494-B | Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors | 阿雷生物药品公司 | 2021-11-16 | — | — | CN | disclosed |