Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 13/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24480569 | 0.86 | OPRM1 (0.34) | CYP2D6CYP3A4ALDH1A1CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL21073999 | 0.83 | CYP2D6 (0.50) | CYP2D6CYP3A4ALDH1A1CYP2C19TSHR | |
| SCHEMBL29317112 | 0.83 | CYP2D6 (0.50) | CYP2D6CYP3A4ALDH1A1CYP2C19TSHR | |
| SCHEMBL22564911 | 0.77 | OPRM1 (0.36) | TSHR | |
| SCHEMBL22564921 | 0.77 | TSHR (0.44) | CYP2D6CYP3A4ALDH1A1CYP2C19TSHR | |
| SCHEMBL24480559 | 0.77 | OPRM1 (0.36) | CYP2D6CYP3A4CYP2C19TSHRCYP2C9 | |
| Hydrochloric Acid SCHEMBL31097575 | 0.77 | CYP2D6 (0.45) | CYP2D6CYP3A4ALDH1A1CYP2C19TSHR | |
| SCHEMBL24481345 | 0.76 | OPRM1 (0.33) | CYP2D6CYP3A4CYP2C19TSHRCYP2C9 | |
| SCHEMBL25026759 | 0.75 | CYP2D6 (0.35) | CYP2D6CYP3A4ALDH1A1CYP2C19TSHR | |
| SCHEMBL20353639 | 0.75 | TSHR (0.61) | CYP2D6CYP3A4ALDH1A1CYP2C19TSHR |
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-2023131167-A1 | COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF | 海思科医药集团股份有限公司 | 2023-07-13 | — | — | WO | disclosed |