Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL76044 | 1.00 | TSHR (0.61) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL22160794 | 0.98 | TSHR (0.58) | TSHRIDO1AGXTALDH1A1CA1 | |
| Methylene Chloride SCHEMBL29153178 | 0.94 | TSHR (0.54) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL2281945 | 0.90 | TSHR (0.54) | TSHRIDO1AGXTALDH1A1CCNB2 | |
| SCHEMBL20216100 | 0.88 | TSHR (0.52) | TSHRIDO1ALDH1A1CCNB2CDK1 | |
| SCHEMBL27172833 | 0.88 | TSHR (0.52) | TSHRIDO1ALDH1A1CCNB2CDK1 | |
| SCHEMBL7924975 | 0.86 | TSHR (0.45) | TSHRALDH1A1CA1CA2CA9 | |
| Acetic Acid SCHEMBL12274807 | 0.86 | ALDH1A1 (0.49) | TSHRALDH1A1MAOBALOX5MAPK1 | |
| SCHEMBL30378670 | 0.85 | L3MBTL1 (0.50) | TSHRL3MBTL1KMT2ATDP1 | |
| SCHEMBL7760105 | 0.84 | TSHR (0.52) | TSHRIDO1AGXTALDH1A1CA1 |
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-113004300-B | Stable isotope labeled patulin and synthesis method thereof | 上海海关动植物与食品检验检疫技术中心 | 2023-06-27 | — | — | CN | claimed |