Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16822762 | 0.83 | TSHR (0.47) | CYP2C19TSHRCA1CA2CA7 | |
| SCHEMBL1800722 | 0.80 | CA1 (0.46) | CYP2C19TSHRCA1CA2CA7 | |
| SCHEMBL8712990 | 0.80 | TSHR (0.56) | CYP2C19TSHRCA1CA2CA7 | |
| SCHEMBL23975792 | 0.79 | TSHR (0.47) | CYP2C19TSHRCA1CA2CA7 | |
| SCHEMBL27604046 | 0.79 | TSHR (0.47) | CYP2C19TSHRCTSBHTTSMN1; SMN2 | |
| SCHEMBL27252478 | 0.78 | HTT (0.43) | CYP2C19TSHRCTSBHTTSMN1; SMN2 | |
| SCHEMBL20128491 | 0.77 | CTSB (0.43) | CYP2C19TSHRCA1CA2CA7 | |
| SCHEMBL20128499 | 0.77 | CTSB (0.43) | CYP2C19TSHRCA1CA2CA7 | |
| SCHEMBL5217777 | 0.77 | CYP2C19 (0.49) | CYP2C19TSHRCA1CA2CA7 | |
| SCHEMBL27711652 | 0.77 | CYP2C19 (0.49) | CYP2C19TSHRCA1CA2CA7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478572-B | A kind of preparation method of beraprost and its salt | 上海北卡医药技术有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-106632372-B | A kind of intermediate and its preparation method and application | 上海北卡医药技术有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-106632372-A | Intermediate and preparation method and use thereof | 上海北卡医药技术有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106478572-A | A kind of Beraprost and its preparation method of salt | 上海北卡医药技术有限公司 | 2017-03-08 | — | — | CN | disclosed |