Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 8/20 | 0.51 |
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | SCD | O00767 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.49 |
| ▸ | RELA | Q04206 | 2/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28227103 | 0.92 | LRRK2 (0.51) | LRRK2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28226335 | 0.90 | SCD (0.43) | LRRK2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28227093 | 0.87 | NPC1 (0.49) | LRRK2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28226369 | 0.84 | SCD (0.44) | LRRK2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28860952 | 0.83 | NPC1 (0.47) | LRRK2NPC1RAB9ASCDHTT | |
| SCHEMBL28226308 | 0.82 | LRRK2 (0.60) | LRRK2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28227110 | 0.80 | PIK3CG (0.51) | LRRK2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28227094 | 0.80 | HTT (0.56) | LRRK2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28226337 | 0.77 | NPC1 (0.58) | LRRK2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28861051 | 0.77 | HSD17B1 (0.55) | LRRK2NPC1RAB9AKMT2AMEN1 |
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-105175408-B | Benzothiazole compound and its purposes as drug | 中国人民解放军第二军医大学 | 2018-07-17 | — | — | CN | disclosed |