Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 15/20 | 0.51 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21753161 | 0.87 | SLC6A5 (0.53) | NTRK1SLC6A5GAAKDM4EALDH1A1 | |
| SCHEMBL1836527 | 0.78 | ALDH1A1 (0.31) | GAAKDM4EALDH1A1 | |
| SCHEMBL26981274 | 0.73 | ELANE (0.50) | NTRK1GAAKDM4EALDH1A1 | |
| SCHEMBL4317721 | 0.69 | SLC6A5 (0.77) | SLC6A5KDM4EALDH1A1 | |
| SCHEMBL28839288 | 0.68 | NTRK1 (1.00) | NTRK1 | |
| SCHEMBL17384429 | 0.66 | ELANE (0.47) | NTRK1GAAALDH1A1 | |
| SCHEMBL16915926 | 0.66 | SLC6A5 (0.53) | SLC6A5KDM4EALDH1A1 | |
| SCHEMBL25325222 | 0.66 | SLC6A5 (0.60) | SLC6A5KDM4EALDH1A1 | |
| SCHEMBL2625346 | 0.66 | SLC6A5 (0.80) | SLC6A5KDM4EALDH1A1 | |
| SCHEMBL4144313 | 0.66 | SLC6A5 (1.00) | SLC6A5GAAKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117164590-A | Fused pyrimidine derivative and application thereof | 沈阳药科大学 | 2023-12-05 | — | — | CN | disclosed |
| WO-2023227139-A1 | FUSED PYRIMIDINE DERIVATIVE AND APPLICATION THEREOF | 沈阳药科大学 | 2023-11-30 | — | — | WO | disclosed |