Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 17/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.39 |
| ▸ | CASP1 | P29466 | 14/20 | 0.39 |
| ▸ | CASP7 | P55210 | 14/20 | 0.39 |
| ▸ | USP2 | O75604 | 13/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 12/20 | 0.39 |
| ▸ | MEN1 | O00255 | 10/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 10/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.39 |
| ▸ | GLA | P06280 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22200452 | 0.94 | ERN1 (0.49) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200713 | 0.89 | ERN1 (0.45) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200719 | 0.89 | ERN1 (0.42) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200563 | 0.83 | ERN1 (0.46) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200600 | 0.83 | ERN1 (0.52) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200592 | 0.82 | ERN1 (0.55) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200597 | 0.81 | ERN1 (0.37) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200355 | 0.78 | ERN1 (0.41) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200627 | 0.76 | ERN1 (0.52) | ERN1CYP1A2ALDH1A1CASP1CASP7 | |
| SCHEMBL22200574 | 0.75 | ERN1 (0.34) | ERN1 |
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 |