Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | GFER | P55789 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27761849 | 0.80 | NPC1 (0.56) | NPC1RAB9AGAATNKSPARP1 | |
| SCHEMBL7146757 | 0.79 | NPC1 (0.55) | NPC1RAB9AGAATNKSPARP1 | |
| SCHEMBL28158253 | 0.79 | NPC1 (0.55) | NPC1RAB9AGAATNKSPARP1 | |
| Water SCHEMBL28237887 | 0.79 | NPC1 (0.55) | NPC1RAB9AGAATNKSPARP1 | |
| SCHEMBL18300831 | 0.79 | NPC1 (0.55) | NPC1RAB9AGAATNKSPARP1 | |
| SCHEMBL56854 | 0.79 | RAB9A (0.55) | NPC1RAB9AGAATNKSPARP1 | |
| SCHEMBL6368201 | 0.79 | NPC1 (0.55) | NPC1RAB9AGAATNKSPARP1 | |
| SCHEMBL5939 | 0.79 | NPC1 (0.55) | NPC1RAB9AGAATNKSPARP1 | |
| SCHEMBL1895948 | 0.79 | NPC1 (0.55) | NPC1RAB9AGAATNKSPARP1 | |
| SCHEMBL27961299 | 0.79 | NPC1 (0.55) | NPC1RAB9AGAATNKSPARP1 |
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-109180590-A | A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free | 福建医科大学 | 2019-01-11 | — | — | CN | disclosed |