Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL24102187 | 0.80 | — | — | |
| SCHEMBL19787758 | 0.73 | — | — | |
| SCHEMBL18494068 | 0.71 | TSHR (0.32) | ALDH1A1TSHR | |
| SCHEMBL17226125 | 0.70 | — | — | |
| SCHEMBL22752364 | 0.68 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL23609757 | 0.68 | TSHR (0.30) | TSHR | |
| SCHEMBL23586601 | 0.67 | — | — | |
| SCHEMBL23961148 | 0.67 | FFAR1 (0.31) | — | |
| SCHEMBL20671856 | 0.67 | — | — | |
| SCHEMBL19370487 | 0.67 | GRIK1 (0.35) | — |
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-2018086589-A1 | 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | 上海海雁医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |