Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL22200731 | 0.88 | ERN1 (0.46) | ERN1CYP1A2CYP3A4HSD17B10USP2 | |
| SCHEMBL22200589 | 0.88 | ERN1 (0.46) | ERN1CYP1A2CYP3A4HSD17B10USP2 | |
| SCHEMBL22200583 | 0.78 | ERN1 (0.54) | ERN1CYP1A2CYP3A4HSD17B10USP2 | |
| SCHEMBL22200576 | 0.77 | ERN1 (0.36) | ERN1 | |
| SCHEMBL22190651 | 0.76 | ERN1 (0.58) | ERN1CYP1A2CYP3A4HSD17B10USP2 | |
| SCHEMBL29353080 | 0.76 | ERN1 (0.58) | ERN1CYP1A2CYP3A4HSD17B10USP2 | |
| SCHEMBL25035627 | 0.75 | ERN1 (0.58) | ERN1CYP1A2CYP3A4HSD17B10USP2 | |
| SCHEMBL22190725 | 0.74 | ERN1 (0.58) | ERN1CYP1A2CYP3A4HSD17B10USP2 | |
| SCHEMBL29356153 | 0.74 | ERN1 (0.58) | ERN1CYP1A2CYP3A4HSD17B10USP2 | |
| SCHEMBL22200603 | 0.73 | ERN1 (0.43) | ERN1CYP1A2CYP3A4HSD17B10USP2 |
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 |