Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| N-Nitrosodiethylamine SCHEMBL106629 | 1.00 | — | — | |
| N-Nitrosodiethylamine SCHEMBL28087789 | 0.90 | TSHR (0.81) | TSHRALDH1A1 | |
| SCHEMBL10883185 | 0.86 | TSHR (0.75) | TSHRALDH1A1 | |
| SCHEMBL11525062 | 0.81 | — | — | |
| SCHEMBL30406839 | 0.76 | — | — | |
| SCHEMBL18650271 | 0.76 | — | — | |
| SCHEMBL3341604 | 0.76 | — | — | |
| N-Nitrosodiethylamine SCHEMBL28052332 | 0.75 | TSHR (0.56) | TSHR | |
| SCHEMBL18650461 | 0.74 | — | — | |
| SCHEMBL4562415 | 0.74 | TSHR (0.57) | TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104739917-B | Plant extract and application thereof in preparing medicine for treating liver fibrosis and liver cancer | 财团法人生物技术开发中心 | 2019-05-17 | — | — | CN | disclosed |
| EP-0785186-B1 | Process for preparing diels-alder addition product from conjugated diolefin and acrylonitrile | MITSUI CHEMICALS INC (JP) | 2000-05-31 | — | — | EP | disclosed |