Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | CDK8 | P49336 | 1/20 | 0.50 |
| ▸ | CLK2 | P49760 | 1/20 | 0.50 |
| ▸ | CDK7 | P50613 | 1/20 | 0.50 |
| ▸ | CDK9 | P50750 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | ALDH5A1 | P51649 | 3/20 | 0.42 |
| ▸ | ABAT | P80404 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15684790 | 0.86 | MAP4K4 (0.42) | MAP4K4CDK8CLK2CDK7CDK9 | |
| SCHEMBL29953198 | 0.86 | RAB9A (0.47) | MAP4K4CDK8CLK2CDK7CDK9 | |
| SCHEMBL16963468 | 0.79 | CYP2A6 (0.37) | RAB9AKDM4EPTGS2CYP2A6ALDH1A1 | |
| SCHEMBL16963494 | 0.79 | ALDH1A1 (0.42) | RAB9AKDM4EPTGS2CYP2A6ALDH1A1 | |
| SCHEMBL669043 | 0.79 | CYP1A2 (0.52) | RAB9AKDM4ECYP2A6ALDH1A1HPGD | |
| SCHEMBL13724449 | 0.79 | RAB9A (0.41) | RAB9AKDM4EPTGS2CYP2A6ALDH1A1 | |
| SCHEMBL16963371 | 0.79 | ALDH1A1 (0.41) | DYRK1ARAB9AKDM4EPTGS2CYP2A6 | |
| SCHEMBL15652730 | 0.75 | KDM4E (0.42) | RAB9AKDM4EPTGS2ALDH5A1ABAT | |
| SCHEMBL28143587 | 0.75 | KDM4E (0.42) | RAB9AKDM4EPTGS2ALDH5A1ABAT | |
| SCHEMBL4586466 | 0.75 | TYR (0.47) | RAB9AKDM4ECYP2A6ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |