Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MYLK | Q15746 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.31 |
| ▸ | MEN1 | O00255 | 4/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17399090 | 0.80 | MYLK (0.38) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL28409888 | 0.76 | MYLK (0.35) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL10994406 | 0.75 | MYLK (0.43) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL28704042 | 0.74 | BCHE (0.39) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL28121191 | 0.68 | BCHE (0.37) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL6184773 | 0.65 | BCHE (0.42) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL19061114 | 0.64 | KDM4E (0.37) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL28091148 | 0.64 | ALDH1A1 (0.37) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL11886360 | 0.61 | MAOA (0.37) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL25953955 | 0.61 | RAB9A (0.38) | ALDH1A1HPGDNPC1RAB9AKDM4E |
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-111116511-A | Benzothiazole biological thiol probe and preparation method and application thereof | 湖南科技大学 | 2020-05-08 | — | — | CN | claimed |
| CN-111116511-A | Benzothiazole biological thiol probe and preparation method and application thereof | 湖南科技大学 | 2020-05-08 | — | — | CN | disclosed |