Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9116753 | 0.84 | TSHR (0.48) | ALDH1A1KDM4EPOLBTSHRCES1 | |
| Trifluoroacetic Acid SCHEMBL27579421 | 0.82 | TSHR (0.62) | ALDH1A1KDM4EPOLBTSHRCES1 | |
| SCHEMBL8839506 | 0.81 | KDM4E (0.55) | ALDH1A1KDM4EPOLBTSHRCES1 | |
| SCHEMBL3547434 | 0.81 | KDM4E (0.55) | ALDH1A1KDM4EPOLBTSHRMAPK1 | |
| SCHEMBL28943134 | 0.80 | LMNA (0.48) | ALDH1A1KDM4EPOLBTSHRCES1 | |
| SCHEMBL1691754 | 0.79 | KDM4E (0.53) | ALDH1A1KDM4EPOLBTSHRMAPK1 | |
| SCHEMBL8157722 | 0.78 | ALDH1A1 (0.61) | ALDH1A1KDM4EPOLBTSHRCES1 | |
| SCHEMBL31397663 | 0.78 | KDM4E (0.51) | ALDH1A1KDM4EPOLBTSHRMAPK1 | |
| SCHEMBL3545416 | 0.78 | KDM4E (0.51) | ALDH1A1KDM4EPOLBTSHRMAPK1 | |
| SCHEMBL8840022 | 0.77 | KDM4E (0.51) | ALDH1A1KDM4EPOLBTSHRSMN1; SMN2 |
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-107793381-A | The preparation method of the methanol of 3 fluoro-oxetane 3 and its intermediate | 上海睿智化学研究有限公司 | 2018-03-13 | — | — | CN | disclosed |
| EP-0554025-A2 | Fluorinated cyclobutyl purines and pyrimidines | E.R. SQUIBB & SONS, INC. (US) | 1993-08-04 | — | — | EP | disclosed |