Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9139 | 0.82 | — | — | |
| Water SCHEMBL1662662 | 0.79 | HCAR2 (0.36) | — | |
| Water SCHEMBL2326354 | 0.79 | HCAR2 (0.36) | — | |
| Tetrahydrofuran SCHEMBL28247226 | 0.76 | ENPP2 (0.41) | — | |
| Tetrahydrofuran SCHEMBL8433132 | 0.71 | ALDH1A1 (0.57) | ALDH1A1 | |
| Phenylboronic Acid SCHEMBL30296306 | 0.70 | ENPP2 (0.64) | ALDH1A1 | |
| SCHEMBL128201 | 0.67 | ENPP2 (0.62) | — | |
| SCHEMBL28967087 | 0.66 | ENPP2 (0.36) | ALDH1A1 | |
| Tetrahydrofuran SCHEMBL8029807 | 0.65 | — | — | |
| Pyrimidine SCHEMBL27840500 | 0.64 | ALDH1A1 (0.47) | ALDH1A1 |
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-108690052-A | 5- aryl -1- imino group -1- oxos-[1,2,4]Thiadiazine | 豪夫迈·罗氏有限公司 | 2018-10-23 | — | — | CN | disclosed |