Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.36 |
| ▸ | MTOR | P42345 | 6/20 | 0.34 |
| ▸ | EGFR | P00533 | 4/20 | 0.34 |
| ▸ | PRKDC | P78527 | 4/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | HCK | P08631 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.33 |
| ▸ | USP2 | O75604 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22200350 | 0.88 | USP2 (0.38) | ERN1MTOREGFRSRCCYP1A2 | |
| SCHEMBL22200361 | 0.87 | ERN1 (0.45) | ERN1PIK3CDMTOREGFRPRKDC | |
| SCHEMBL22200352 | 0.86 | ERN1 (0.40) | ERN1PIK3CDMTOREGFRCYP1A2 | |
| SCHEMBL25035356 | 0.84 | ERN1 (0.49) | ERN1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL25035545 | 0.82 | ERN1 (0.59) | ERN1PIK3CDCYP1A2USP2CYP3A4 | |
| SCHEMBL22200598 | 0.82 | ERN1 (0.38) | ERN1PIK3CDMTORCYP1A2USP2 | |
| SCHEMBL22200583 | 0.81 | ERN1 (0.54) | ERN1PIK3CDMTOREGFRPRKDC | |
| SCHEMBL22200338 | 0.81 | ERN1 (0.41) | ERN1MTORCYP1A2USP2CYP3A4 | |
| SCHEMBL22200345 | 0.81 | ERN1 (0.53) | ERN1MTORCYP1A2USP2CYP3A4 | |
| SCHEMBL22200356 | 0.80 | ERN1 (0.41) | ERN1MTORPIK3CACYP1A2USP2 |
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 |