Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 6/20 | 0.63 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29353150 | 1.00 | ERN1 (0.63) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL22200593 | 0.93 | ERN1 (0.75) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL29353070 | 0.93 | ERN1 (0.75) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL22191060 | 0.92 | ERN1 (0.67) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL22200360 | 0.88 | ERN1 (0.65) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL29352874 | 0.88 | ERN1 (0.65) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL22200552 | 0.88 | ERN1 (0.57) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL29355797 | 0.87 | ERN1 (0.73) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL22200343 | 0.87 | ERN1 (0.73) | ERN1CDK4CCND1CCND3CDK6 | |
| SCHEMBL28639948 | 0.86 | ERN1 (0.47) | ERN1CDK4CCND1CCND3CDK6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113508115-A | Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases | 基因泰克公司 | 2021-10-15 | — | — | CN | disclosed |
| 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 |