Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | SCD | O00767 | 4/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.49 |
| ▸ | CLK1 | P49759 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL2190326 | 0.82 | LRRK2 (0.72) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28227108 | 0.81 | CASP3 (0.62) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL28860940 | 0.80 | HSD17B10 (0.56) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28226308 | 0.79 | LRRK2 (0.60) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28226343 | 0.79 | DYRK1A (0.57) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2190685 | 0.79 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16562169 | 0.79 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28226353 | 0.78 | DYRK1A (0.52) | NPC1RAB9AKDM4ESCDLRRK2 | |
| SCHEMBL21568214 | 0.78 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7127611 | 0.78 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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 |