Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CETP | P11597 | 1/20 | 0.44 |
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27925087 | 0.90 | NPC1 (0.54) | NPC1ALDH1A1GAATP53MAPT | |
| SCHEMBL28020904 | 0.86 | GAA (0.42) | NPC1ALDH1A1GAAKDM4ETP53 | |
| SCHEMBL28020562 | 0.86 | CYP1A2 (0.46) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL28804129 | 0.83 | PLTP (0.52) | NPC1ALDH1A1GAAMAPTHPGD | |
| SCHEMBL27925165 | 0.83 | CETP (0.50) | NPC1ALDH1A1GAATP53MAPT | |
| SCHEMBL27907145 | 0.81 | PTGDR2 (0.47) | NPC1ALDH1A1GAAKDM4EMAPT | |
| SCHEMBL1303890 | 0.80 | ADORA1 (0.57) | NPC1MAPTPTGDR2RAB9AADORA1 | |
| SCHEMBL27907150 | 0.76 | ADORA2A (0.50) | NPC1ALDH1A1KDM4ETP53MAPT | |
| SCHEMBL27907147 | 0.76 | RAB9A (0.54) | NPC1GAAKDM4ETP53MAPT | |
| SCHEMBL1302328 | 0.74 | PLTP (0.58) | NPC1ALDH1A1KDM4EMAPTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103159695-B | HIV can be suppressed to copy and to effective thiazole compound of resistance HIV virus strain and its production and use | CAPITAL NORMAL UNIVERSITY (CN) | 2015-08-12 | — | — | CN | claimed |
| CN-103159695-B | HIV can be suppressed to copy and to effective thiazole compound of resistance HIV virus strain and its production and use | CAPITAL NORMAL UNIVERSITY (CN) | 2015-08-12 | — | — | CN | disclosed |