Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCND1 | P24385 | 11/20 | 0.49 |
| ▸ | CDK4 | P11802 | 9/20 | 0.49 |
| ▸ | CDK2 | P24941 | 9/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.49 |
| ▸ | CCND3 | P30281 | 4/20 | 0.47 |
| ▸ | CCND2 | P30279 | 3/20 | 0.47 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.42 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.42 |
| ▸ | FGFR4 | P22455 | 3/20 | 0.42 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4830604 | 0.95 | CCND1 (0.55) | CCND1CDK4CDK2CCNA2CCND3 | |
| SCHEMBL31153370 | 0.95 | CCND1 (0.55) | CCND1CDK4CDK2CCNA2CCND3 | |
| SCHEMBL4833696 | 0.94 | CCND1 (0.54) | CCND1CDK4CDK2CCNA2CCND3 | |
| SCHEMBL4828668 | 0.81 | CDK2 (0.53) | CCND1CDK4CDK2CCNA2CCND3 | |
| SCHEMBL4826681 | 0.81 | CCND1 (0.48) | CCND1CDK4CDK2CCNA2CCND3 | |
| SCHEMBL13553975 | 0.80 | WEE1 (0.38) | CCND1CDK4CDK2CCNA2FGFR1 | |
| SCHEMBL4835866 | 0.80 | CCND1 (0.54) | CCND1CDK4CDK2CCNA2CCND3 | |
| SCHEMBL29507751 | 0.80 | CDK2 (0.40) | CCND1CDK4CDK2CCNA2CCND3 | |
| SCHEMBL4835897 | 0.78 | CCND1 (0.47) | CCND1CDK4CDK2CCNA2CCND3 | |
| SCHEMBL22015971 | 0.78 | NUAK1 (0.56) | CCND1CDK4CDK2CCNA2CCND3 |
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-2020142612-A1 | PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. | GENENTECH, INC. (US) | 2020-07-09 | — | — | WO | disclosed |