Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30849377 | 0.78 | EPAS1 (0.40) | OPRL1 | |
| SCHEMBL9403366 | 0.78 | FNTA (0.33) | — | |
| SCHEMBL30849375 | 0.78 | EPAS1 (0.40) | OPRL1 | |
| SCHEMBL14416136 | 0.71 | PRCP (0.36) | — | |
| SCHEMBL30849374 | 0.69 | PPARD (0.40) | — | |
| SCHEMBL30849367 | 0.68 | KDM5A (0.36) | — | |
| SCHEMBL14416121 | 0.68 | FNTA (0.38) | — | |
| SCHEMBL6646898 | 0.68 | CXCR4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11854362 | 0.67 | CXCR4 (0.36) | — | |
| SCHEMBL4506813 | 0.65 | SRD5A1 (0.45) | ALDH1A1 |
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-117800949-A | Pyrimidine-containing polycyclic derivative, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-02 | — | — | CN | disclosed |