Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | HTT | P42858 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.60 |
| ▸ | SCD | O00767 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28227108 | 0.90 | CASP3 (0.62) | LRRK2NPC1RAB9AHTTSCD | |
| SCHEMBL28861051 | 0.88 | HSD17B1 (0.55) | LRRK2NPC1RAB9AHTTKDM4E | |
| SCHEMBL28227094 | 0.85 | HTT (0.56) | LRRK2NPC1RAB9AHTTKDM4E | |
| SCHEMBL28860934 | 0.82 | MEN1 (0.62) | NPC1RAB9ASCDMEN1KMT2A | |
| SCHEMBL28227104 | 0.82 | RAB9A (0.71) | NPC1RAB9AHTTKDM4ENFKB1 | |
| SCHEMBL28226394 | 0.82 | LRRK2 (0.53) | LRRK2NPC1RAB9AHTTKDM4E | |
| SCHEMBL28226343 | 0.81 | DYRK1A (0.57) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL28860940 | 0.80 | HSD17B10 (0.56) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL28227101 | 0.80 | DYRK1A (0.62) | LRRK2HTTKDM4EMEN1KMT2A | |
| SCHEMBL28226337 | 0.79 | NPC1 (0.58) | LRRK2NPC1RAB9AKDM4ESCD |
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 |