Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | TNKS | O95271 | 3/20 | 0.50 |
| ▸ | PARP1 | P09874 | 3/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9663560 | 0.84 | NPC1 (0.50) | NPC1RAB9ATNKSPARP1TNKS2 | |
| SCHEMBL2176986 | 0.81 | NPC1 (0.47) | NPC1RAB9ATNKSPARP1TNKS2 | |
| SCHEMBL2178199 | 0.81 | NPC1 (0.47) | NPC1RAB9ATNKSPARP1TNKS2 | |
| SCHEMBL5202985 | 0.78 | ADORA2B (0.49) | NPC1RAB9ATNKSPARP1TNKS2 | |
| SCHEMBL6368201 | 0.78 | NPC1 (0.55) | NPC1RAB9ATNKSPARP1TNKS2 | |
| SCHEMBL27605784 | 0.77 | NPC1 (0.50) | NPC1RAB9ATNKSPARP1TNKS2 | |
| SCHEMBL2900206 | 0.76 | DDAH1 (0.55) | TNKS2GAATP53ALDH1A1ADORA1 | |
| SCHEMBL20169191 | 0.76 | PARP1 (0.46) | NPC1RAB9APARP1TNKS2GAA | |
| SCHEMBL27761849 | 0.76 | NPC1 (0.56) | NPC1RAB9ATNKSPARP1TNKS2 | |
| SCHEMBL28491656 | 0.76 | NPC1 (0.45) | NPC1RAB9ATNKSPARP1TNKS2 |
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-110078737-A | Perfluoroalkyl substituted benzimidazole and compound of isobioquin group and preparation method thereof | 郑州大学 | 2019-08-02 | — | — | CN | disclosed |
| CN-106866543-B | A method of benzimidazole compound is catalyzed and synthesized under microwave radiation in water phase | 福建医科大学 | 2019-05-14 | — | — | CN | disclosed |