Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.32 |
| ▸ | CASP1 | P29466 | 5/20 | 0.32 |
| ▸ | CASP7 | P55210 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29357735 | 0.89 | ERN1 (0.50) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL22200346 | 0.89 | ERN1 (0.50) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL28644015 | 0.87 | ERN1 (0.43) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL22200542 | 0.87 | ERN1 (0.46) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL29356361 | 0.87 | ERN1 (0.46) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL22200541 | 0.86 | ERN1 (0.54) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL29357908 | 0.86 | ERN1 (0.54) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL22200705 | 0.85 | ERN1 (0.48) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL29356760 | 0.85 | ERN1 (0.48) | ERN1ALDH1A1CYP1A2CASP1CASP7 | |
| SCHEMBL22200342 | 0.81 | ERN1 (0.63) | ERN1ALDH1A1CYP1A2CASP1CASP7 |
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 |