Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.48 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | XBP1 | P17861 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11327432 | 1.00 | CYP2C19 (0.62) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| SCHEMBL10663388 | 0.94 | CYP2C9 (0.59) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| SCHEMBL4594355 | 0.90 | CYP2C19 (0.66) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| SCHEMBL9068045 | 0.84 | SMN1; SMN2 (0.52) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| SCHEMBL2164224 | 0.83 | CYP2C19 (0.79) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| SCHEMBL27075791 | 0.83 | HSPA5 (0.51) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| SCHEMBL6400593 | 0.82 | CYP2C9 (0.43) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| SCHEMBL8851966 | 0.82 | CYP2C19 (0.67) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| SCHEMBL11236535 | 0.81 | CYP2C9 (0.49) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 | |
| Acrylic Acid SCHEMBL9576773 | 0.80 | CYP2C9 (0.54) | CYP2C19CYP2C9CYP3A4TSHRCYP1A2 |
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-2022210295-A1 | PHOSPHOROUS ESTER COMPOUND, METHOD FOR PRODUCING SAME, AND USE APPLICATION FOR SAME | 住友化学株式会社 | 2022-10-06 | — | — | WO | disclosed |