Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 7/20 | 0.64 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.32 |
| ▸ | JAK1 | P23458 | 3/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22190503 | 0.95 | ERN1 (0.65) | ERN1BRAFMAPK8CCNE1CDK2 | |
| SCHEMBL29353276 | 0.95 | ERN1 (0.65) | ERN1BRAFMAPK8CCNE1CDK2 | |
| SCHEMBL22190622 | 0.92 | ERN1 (0.75) | ERN1BRAFMAPK8CCNE1CDK2 | |
| SCHEMBL29356039 | 0.92 | ERN1 (0.75) | ERN1BRAFMAPK8CCNE1CDK2 | |
| SCHEMBL29352812 | 0.90 | ERN1 (0.66) | ERN1BRAFMAPK8CCNE1CDK2 | |
| SCHEMBL22190563 | 0.90 | ERN1 (0.66) | ERN1BRAFMAPK8CCNE1CDK2 | |
| SCHEMBL22190764 | 0.88 | ERN1 (0.67) | ERN1BRAFCCNE1CDK2CCNE2 | |
| SCHEMBL29353102 | 0.88 | ERN1 (0.67) | ERN1BRAFCCNE1CDK2CCNE2 | |
| SCHEMBL22190662 | 0.87 | ERN1 (0.76) | ERN1BRAFMAPK8CCNE1CDK2 | |
| SCHEMBL29356225 | 0.87 | ERN1 (0.76) | ERN1BRAFMAPK8CCNE1CDK2 |
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 |