Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KDM5A | P29375 | 1/20 | 0.48 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 3/20 | 0.42 |
| ▸ | LATS1 | O95835 | 2/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7248226 | 0.82 | KDM4E (0.70) | ALDH1A1KDM4ESMN1; SMN2MAPTHPGD | |
| SCHEMBL1061389 | 0.82 | KDM5A (0.45) | ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B | |
| SCHEMBL15738758 | 0.81 | KDM5A (0.46) | ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B | |
| SCHEMBL23122325 | 0.79 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B | |
| SCHEMBL30741420 | 0.77 | KDM5A (0.58) | ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B | |
| SCHEMBL20552767 | 0.77 | KDM5A (0.58) | ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B | |
| SCHEMBL30474276 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B | |
| SCHEMBL23202573 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B | |
| SCHEMBL3098815 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2DHODHMAPT | |
| SCHEMBL30779339 | 0.76 | MMP13 (0.47) | ALDH1A1KDM4ESMN1; SMN2KDM5AKDM5B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020243459-A1 | THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2020-12-03 | — | — | WO | disclosed |