Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 3/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.30 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.30 |
| ▸ | CCNK | O75909 | 1/20 | 0.30 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CDK7 | P50613 | 1/20 | 0.30 |
| ▸ | CCNH | P51946 | 1/20 | 0.30 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.30 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22200539 | 0.88 | ERN1 (0.51) | ERN1EGFRCDK2 | |
| SCHEMBL29353878 | 0.88 | ERN1 (0.51) | ERN1EGFRCDK2 | |
| SCHEMBL22200542 | 0.81 | ERN1 (0.46) | ERN1CDK2CDK1CDK4CCND1 | |
| SCHEMBL29356361 | 0.81 | ERN1 (0.46) | ERN1CDK2CDK1CDK4CCND1 | |
| SCHEMBL22200720 | 0.81 | HDAC3 (0.38) | ERN1LCKEGFRCDK2CDK1 | |
| SCHEMBL29354891 | 0.81 | HDAC3 (0.38) | ERN1LCKEGFRCDK2CDK1 | |
| SCHEMBL22190581 | 0.80 | ERN1 (0.53) | ERN1EGFRCDK2MAPK8MAPK9 | |
| SCHEMBL29356760 | 0.80 | ERN1 (0.48) | ERN1CDK2CDK1CDK4CCND1 | |
| SCHEMBL22200705 | 0.80 | ERN1 (0.48) | ERN1CDK2CDK1CDK4CCND1 | |
| SCHEMBL22200342 | 0.79 | ERN1 (0.63) | ERN1EGFRCDK2MAPK8 |
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 |