Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | RAB9A | P51151 | 1/20 | 0.71 |
| ▸ | TAS2R31 | P59538 | 2/20 | 0.55 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20450286 | 0.92 | NPC1 (0.69) | NPC1RAB9ATAS2R31ABCG2POLB | |
| SCHEMBL5551104 | 0.89 | NPC1 (0.69) | NPC1RAB9ATAS2R31CACNA1HABCG2 | |
| Dihydrooroxylin A SCHEMBL31682921 | 0.83 | NPC1 (1.00) | NPC1RAB9ATAS2R31ABCG2POLB | |
| Dihydrooroxylin A SCHEMBL12067042 | 0.83 | NPC1 (1.00) | NPC1RAB9ATAS2R31ABCG2POLB | |
| SCHEMBL30720998 | 0.83 | NPC1 (0.50) | NPC1RAB9ATAS2R31CACNA1HABCG2 | |
| SCHEMBL28033401 | 0.82 | ABCG2 (0.65) | TAS2R31ABCG2CYP19A1ALDH1A1ADORA3 | |
| SCHEMBL27775449 | 0.81 | NPC1 (0.82) | NPC1RAB9ATAS2R31CACNA1HABCG2 | |
| SCHEMBL30716844 | 0.80 | NPC1 (0.77) | NPC1RAB9ATAS2R31ABCG2POLB | |
| SCHEMBL30721037 | 0.79 | CYP19A1 (0.66) | NPC1RAB9AABCG2POLBMEN1 | |
| SCHEMBL905614 | 0.78 | NPC1 (0.73) | NPC1RAB9ATAS2R31ABCG2POLB |
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-112209911-B | Flavonoid component in fine She Yuanwei and antioxidant activity thereof | 中国药科大学 | 2023-12-01 | — | — | CN | disclosed |