Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | SORD | Q00796 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20685927 | 0.83 | TRPV1 (0.36) | LCKTRPV1SORDRPS6KA5 | |
| SCHEMBL20685899 | 0.83 | LCK (0.40) | LCKCYP17A1 | |
| SCHEMBL19402116 | 0.81 | IDH1 (0.47) | CYP17A1TRPV1SORDRPS6KA5 | |
| SCHEMBL12419690 | 0.80 | HDAC1 (0.50) | — | |
| SCHEMBL2191401 | 0.76 | DRD2 (0.43) | DRD2DRD3KCNH2 | |
| SCHEMBL20956371 | 0.74 | TRPV1 (0.41) | CYP17A1TRPV1SORDRPS6KA5 | |
| SCHEMBL19402233 | 0.74 | CYP17A1 (0.40) | CYP17A1TRPV1RPS6KA5 | |
| SCHEMBL16424209 | 0.72 | TRPV1 (0.35) | TRPV1SORDKCNH2RPS6KA5 | |
| SCHEMBL20676916 | 0.71 | MTOR (0.39) | — | |
| SCHEMBL19402184 | 0.71 | MTOR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3434674-B1 | ((4-(2-OXOIMIDAZOLIDINE-1-YL)PYRIMIDIN-2-YL)AMINE DERIVATIVES AS MUTANT IDH INHIBITORS FOR TREATING CANCER | SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) | 2021-02-24 | — | — | EP | disclosed |