Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.41 |
| ▸ | TSHR | P16473 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25594651 | 0.79 | ACHE (0.35) | — | |
| SCHEMBL24717358 | 0.77 | CYP2D6 (0.36) | CYP2D6TSHRALDH1A1HPGDHSD17B10 | |
| SCHEMBL27268150 | 0.77 | TSHR (0.39) | CYP2D6TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL24717962 | 0.76 | TSHR (0.45) | CYP2D6TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL25594856 | 0.75 | OPRM1 (0.30) | — | |
| SCHEMBL23343449 | 0.73 | CYP2D6 (0.32) | CYP2D6TSHR | |
| SCHEMBL24233213 | 0.73 | TSHR (0.36) | CYP2D6TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL25026781 | 0.72 | SLC6A1 (0.33) | — | |
| SCHEMBL2578794 | 0.72 | POLB (0.37) | HSD17B10SMN1; SMN2MEN1KMT2A | |
| SCHEMBL24693724 | 0.71 | SLC6A1 (0.32) | — |
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 |