Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28068076 | 0.78 | TSHR (0.39) | TSHRACHEALDH1A1 | |
| SCHEMBL872150 | 0.76 | TSHR (0.68) | TSHRACHEALDH1A1 | |
| SCHEMBL14118484 | 0.74 | ACHE (0.35) | TSHRACHE | |
| SCHEMBL561742 | 0.73 | TSHR (0.62) | TSHRACHEALDH1A1 | |
| SCHEMBL6645670 | 0.73 | TSHR (0.38) | TSHRACHEALDH1A1 | |
| SCHEMBL175687 | 0.71 | TSHR (0.48) | TSHRACHEALDH1A1 | |
| SCHEMBL6426028 | 0.70 | TSHR (0.32) | TSHRACHE | |
| SCHEMBL14118485 | 0.70 | — | — | |
| SCHEMBL7616328 | 0.70 | TSHR (0.32) | TSHRACHE | |
| SCHEMBL29208316 | 0.70 | CYP3A4 (0.48) | TSHRACHEALDH1A1 |
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-106232598-B | Cycloalkyl-linked diheterocyclic derivatives | 辉瑞公司 | 2020-03-13 | — | — | CN | disclosed |