Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3862907 | 0.83 | CYP2C9 (0.66) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL2201266 | 0.83 | CYP2C19 (0.66) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL10028683 | 0.83 | ATM (0.57) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL277284 | 0.82 | CYP2C19 (0.86) | CYP2C19CYP2C9CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL9679507 | 0.80 | CYP2C19 (0.83) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL6979199 | 0.77 | CYP2C19 (0.72) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL12255423 | 0.77 | CYP4F2 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19379260 | 0.77 | CYP2C19 (0.57) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL158686 | 0.76 | CYP2C19 (0.70) | CYP2C19CYP2C9SMN1; SMN2ATMMAPT | |
| SCHEMBL12142609 | 0.76 | CA1 (0.59) | CA12CA1CA2CA7CA9 |
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-104140393-B | A kind of preparation method of aromatic ring/heteroaromatic tert-butyl alcohol ester type compound | 郑州泰基鸿诺医药股份有限公司 | 2016-09-21 | — | — | CN | disclosed |