Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 9/20 | 0.70 |
| ▸ | NPC1 | O15118 | 8/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 8/20 | 0.62 |
| ▸ | MEN1 | O00255 | 5/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.58 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NPY1R | P25929 | 1/20 | 0.49 |
| ▸ | NPY2R | P49146 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23822893 | 0.80 | NPC1 (0.56) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3413937 | 0.79 | NPC1 (0.63) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL22908292 | 0.78 | NPC1 (0.62) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL27176305 | 0.78 | NPC1 (0.59) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21361939 | 0.77 | NPC1 (0.65) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21361932 | 0.76 | NPC1 (0.58) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL16486178 | 0.75 | NPC1 (0.74) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6833999 | 0.75 | NPC1 (0.61) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL22862244 | 0.75 | NPC1 (0.61) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL16486098 | 0.74 | NPC1 (0.63) | HPGDNPC1ALDH1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019174589-A1 | METHOD FOR PREPARING CASPASE INHIBITOR | 正大天晴药业集团股份有限公司 | 2019-09-19 | — | — | WO | disclosed |