Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 6/20 | 0.45 |
| ▸ | CDK4 | P11802 | 3/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21209778 | 0.79 | KDM4E (0.47) | CDK2GAAALDH1A1MAPTHPGD | |
| SCHEMBL21209777 | 0.79 | CSNK1E (0.47) | ALDH1A1 | |
| SCHEMBL18100962 | 0.75 | BRAF (0.46) | CDK2CDK4BRAFCCNE1HDAC1 | |
| SCHEMBL4859590 | 0.73 | TGFBR1 (0.57) | TGFBR1 | |
| SCHEMBL11005215 | 0.71 | BRAF (0.50) | BRAFDRD1GAALMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL23291072 | 0.70 | BRAF (0.49) | BRAFDRD1GAALMNAALDH1A1 | |
| SCHEMBL29511229 | 0.70 | BRAF (0.49) | BRAFDRD1GAALMNAALDH1A1 | |
| SCHEMBL19390627 | 0.69 | DRD1 (0.53) | BRAFDRD1GAALMNAALDH1A1 | |
| SCHEMBL12264096 | 0.69 | CYP2A6 (0.36) | CYP2A6CCR1CCR8BRAFHDAC1 | |
| SCHEMBL15688347 | 0.68 | BRAF (0.48) | BRAFDRD1GAALMNAALDH1A1 |
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-2019148132-A1 | GCN2 INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-08-01 | — | — | WO | disclosed |