Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.36 |
| ▸ | USP2 | O75604 | 10/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.35 |
| ▸ | TSHR | P16473 | 6/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 3/20 | 0.35 |
| ▸ | CASP1 | P29466 | 4/20 | 0.34 |
| ▸ | CASP7 | P55210 | 4/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25035392 | 0.85 | ERN1 (0.41) | CYP1A2CYP3A4USP2ALDH1A1HSD17B10 | |
| SCHEMBL22200792 | 0.84 | MTOR (0.35) | RORCMTOR | |
| SCHEMBL22200612 | 0.83 | RORC (0.35) | CYP1A2CYP3A4USP2ALDH1A1HSD17B10 | |
| SCHEMBL22200594 | 0.83 | RORC (0.34) | CYP1A2CYP3A4USP2ALDH1A1HSD17B10 | |
| SCHEMBL22200788 | 0.81 | USP2 (0.40) | CYP1A2CYP3A4USP2ALDH1A1HSD17B10 | |
| SCHEMBL22200653 | 0.81 | MTOR (0.38) | ALDH1A1HSD17B10RORCHPGDMTOR | |
| SCHEMBL22200603 | 0.80 | ERN1 (0.43) | CYP1A2CYP3A4USP2ALDH1A1HSD17B10 | |
| SCHEMBL22200721 | 0.79 | RORC (0.35) | CYP1A2CYP3A4USP2ALDH1A1HSD17B10 | |
| SCHEMBL22200799 | 0.79 | RORC (0.34) | RORCMTOR | |
| SCHEMBL22200634 | 0.78 | MTOR (0.41) | CYP1A2CYP3A4USP2ALDH1A1HSD17B10 |
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 |