Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.44 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.44 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.44 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24068786 | 0.86 | CD274 (0.38) | ALDH1A1GAAKDM4ENPC1MAPT | |
| SCHEMBL24068745 | 0.85 | PTGS2 (0.39) | — | |
| SCHEMBL24068834 | 0.82 | DRD2 (0.44) | MAPK1KDM4EKMT2ANPC1TP53 | |
| SCHEMBL24068760 | 0.81 | GSTP1 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL24068825 | 0.81 | DRD2 (0.43) | MAPK1KDM4EKMT2ANPC1MAPT | |
| SCHEMBL24069057 | 0.80 | PRF1 (0.36) | CYP2C19ALDH1A1KDM4EHSD17B10MEN1 | |
| SCHEMBL24069056 | 0.79 | CD274 (0.42) | — | |
| SCHEMBL24068849 | 0.79 | L3MBTL1 (0.43) | ALDH1A1MAPK1KDM4EHSD17B10MEN1 | |
| SCHEMBL24068851 | 0.78 | MAPT (0.37) | ALDH1A1KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL24068828 | 0.77 | XDH (0.40) | PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021238587-A1 | MICROMOLECULAR OXATHIAZINE DERIVATIVE AND USE THEREOF | 四川大学华西医院 | 2021-12-02 | — | — | WO | disclosed |