Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | CREB1 | P16220 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | PTPRS | Q13332 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27775453 | 0.90 | NPC1 (0.44) | NPC1RAB9APTGS1POLBFLT3 | |
| SCHEMBL8066879 | 0.85 | GSK3B (0.46) | NPC1RAB9AMAPK14MAPTCYP19A1 | |
| SCHEMBL15573731 | 0.82 | ABCG2 (0.56) | NPC1RAB9AABCG2POLBCRHBP | |
| SCHEMBL17503283 | 0.81 | NPC1 (0.45) | NPC1RAB9AABCG2PTGS1POLB | |
| SCHEMBL3364490 | 0.81 | ABCG2 (0.54) | ABCG2ABCB1MAPTCYP19A1 | |
| SCHEMBL29204371 | 0.80 | CYP19A1 (0.42) | NPC1RAB9AABCG2POLBABCB1 | |
| SCHEMBL10425234 | 0.80 | KDM4E (0.46) | NPC1RAB9AABCG2ABCB1SIRT1 | |
| SCHEMBL28513252 | 0.80 | CYP19A1 (0.46) | NPC1RAB9AABCG2POLBMAPK14 | |
| SCHEMBL5084285 | 0.79 | CYP19A1 (0.44) | NPC1RAB9AABCG2POLBABCB1 | |
| SCHEMBL27830643 | 0.79 | ALOX15 (0.45) | POLBMEN1MAPTRECQLKMT2A |
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-112353856-A | Application of Gegenqinlian preparation in inhibiting novel coronavirus | 广西壮族自治区花红药业集团股份公司 | 2021-02-12 | — | — | CN | disclosed |