Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH5A1 | P51649 | 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 | |
|---|---|---|---|---|
| SCHEMBL16441690 | 0.85 | ALDH1A1 (0.44) | ALDH1A1ALDH1A3ALDH3A1RAB9AKDM4E | |
| SCHEMBL16961647 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TDP1 | |
| SCHEMBL16956425 | 0.81 | — | — | |
| SCHEMBL2979640 | 0.77 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3RAB9AKDM4EPTGS2 | |
| SCHEMBL8250780 | 0.77 | KDM4E (0.55) | ALDH1A1RAB9AKDM4EPTGS2HSD17B10 | |
| SCHEMBL24512766 | 0.77 | ALDH1A1 (0.55) | ALDH1A1ALDH1A3ALDH3A1RAB9AKDM4E | |
| SCHEMBL29955837 | 0.77 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3RAB9AKDM4EPTGS2 | |
| SCHEMBL26049082 | 0.77 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3RAB9AKDM4EPTGS2 | |
| SCHEMBL5567054 | 0.75 | CA2 (0.37) | ALDH1A1RAB9AKDM4EPTGS2HSD17B10 | |
| SCHEMBL10548714 | 0.74 | RARG (0.48) | ALDH1A1ALDH1A3RAB9AKDM4EPTGS2 |
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-105408325-A | Cyanotriazole compounds | OTSUKA PHARMA CO LTD | 2016-03-16 | — | — | CN | disclosed |