Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.58 |
| ▸ | PREP | P48147 | 2/20 | 0.49 |
| ▸ | HTR6 | P50406 | 6/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28001815 | 0.75 | HTR6 (0.44) | HTR6IMPDH2CYP2C19KDM4EMAPT | |
| SCHEMBL6811813 | 0.74 | KDM4E (0.45) | HTR6ALDH1A1TP53KDM4EATM | |
| SCHEMBL3613180 | 0.73 | AR (1.00) | AR | |
| SCHEMBL27854322 | 0.71 | CYP2C19 (0.48) | ARALDH1A1CYP2C19KDM4EKMT2A | |
| SCHEMBL1082317 | 0.69 | ALDH1A1 (0.42) | ARHTR6ALDH1A1CYP2C19DPP4 | |
| SCHEMBL2782013 | 0.69 | LMNA (0.51) | HTR6KDM4EATMMAPTKMT2A | |
| SCHEMBL6407264 | 0.68 | LMNA (0.51) | HTR6ALDH1A1KDM4EATMMAPT | |
| SCHEMBL18324884 | 0.68 | TDO2 (0.41) | PREPIMPDH2IMPDH1ALDH1A1DPP4 | |
| SCHEMBL16801772 | 0.68 | PREP (0.43) | PREPALDH1A1CYP2C19DPP4KDM4E | |
| SCHEMBL16801761 | 0.68 | IMPDH2 (0.39) | PREPHTR6IMPDH2IMPDH1KDM4E |
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-118047800-A | Dual-function chimeric heterocyclic compound of interleukin-1 receptor related kinase, and preparation method and application thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2024-05-17 | — | — | CN | disclosed |