Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | YWHAG | P61981 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1193397 | 0.98 | NPC1 (0.66) | NPC1KEAP1MAPK1HTTGAA | |
| SCHEMBL605593 | 0.81 | NPC1 (1.00) | NPC1KEAP1MAPK1HTTGAA | |
| SCHEMBL3083169 | 0.81 | NPC1 (1.00) | NPC1KEAP1MAPK1HTTGAA | |
| SCHEMBL10675363 | 0.81 | NPC1 (0.59) | NPC1KEAP1MAPK1HTTGAA | |
| SCHEMBL31565663 | 0.79 | NPC1 (0.96) | NPC1KEAP1MAPK1HTTGAA | |
| SCHEMBL3654065 | 0.79 | NPC1 (0.96) | NPC1KEAP1MAPK1HTTGAA | |
| SCHEMBL1740547 | 0.79 | NPC1 (0.66) | NPC1KEAP1MAPK1HTTGAA | |
| SCHEMBL10676859 | 0.77 | NPC1 (0.54) | NPC1KEAP1MAPK1HTTGAA | |
| SCHEMBL27566321 | 0.76 | NPC1 (0.41) | NPC1MAPTKDM4EMEN1ALOX15 | |
| SCHEMBL227731 | 0.76 | NPC1 (0.71) | NPC1KEAP1MAPK1HTTGAA |
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-106687468-A | Metal complex comprising amidine and substituted cyclopentadienyl ligands | 阿朗新科荷兰有限公司 | 2017-05-17 | — | — | CN | disclosed |