Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13045292 | 0.93 | CHRM2 (0.47) | ATMBRD4CHRM2CHRM4CHRM3 | |
| SCHEMBL16237699 | 0.84 | BRD4 (0.38) | ATMBRD4HTR3ANR1H2TSHR | |
| SCHEMBL31368915 | 0.81 | ABL1 (0.40) | ATMCHRM2CHRM4CHRM3ALDH1A1 | |
| SCHEMBL4090168 | 0.81 | ABL1 (0.40) | ATMCHRM2CHRM4CHRM3ALDH1A1 | |
| SCHEMBL16122495 | 0.81 | ABL1 (0.40) | ATMCHRM2CHRM4CHRM3ALDH1A1 | |
| SCHEMBL14410832 | 0.78 | ATM (0.48) | ATMCHRM2CHRM4CHRM3KDM4E | |
| SCHEMBL14599397 | 0.78 | BRD4 (0.44) | BRD4KDM4EALDH1A1NR1H2TSHR | |
| SCHEMBL19091632 | 0.77 | ATM (0.44) | ATMCHRM2CHRM4CHRM3KDM4E | |
| SCHEMBL24197361 | 0.77 | BRD4 (0.50) | BRD4ALDH1A1TSHRMAPTGAA | |
| SCHEMBL2036054 | 0.77 | — | — |
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-116354932-A | Pyrimidine derivative, preparation method and application thereof | 海思科医药集团股份有限公司 | 2023-06-30 | — | — | CN | disclosed |