Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | STK4 | Q13043 | 3/20 | 0.40 |
| ▸ | STK3 | Q13188 | 3/20 | 0.40 |
| ▸ | SIK2 | Q9H0K1 | 3/20 | 0.40 |
| ▸ | STK26 | Q9P289 | 3/20 | 0.40 |
| ▸ | STK24 | Q9Y6E0 | 3/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29356454 | 0.86 | ERN1 (0.44) | ALDH1A1HTTSTK4STK3SIK2 | |
| SCHEMBL22191284 | 0.86 | ERN1 (0.44) | ALDH1A1HTTSTK4STK3SIK2 | |
| SCHEMBL22200566 | 0.85 | ERN1 (0.40) | HTTSRCBTKTSHRERN1 | |
| SCHEMBL22200391 | 0.82 | ERN1 (0.35) | HTTSRCBTKTSHRTP53 | |
| SCHEMBL29353887 | 0.80 | CYP1A2 (0.44) | ALDH1A1STK4STK3SIK2STK26 | |
| SCHEMBL22191244 | 0.80 | CYP1A2 (0.44) | ALDH1A1STK4STK3SIK2STK26 | |
| SCHEMBL22200645 | 0.79 | SRC (0.38) | STK4STK3SIK2STK26STK24 | |
| SCHEMBL22190923 | 0.77 | ERN1 (0.38) | STK4STK3SIK2STK26STK24 | |
| SCHEMBL29355885 | 0.77 | ERN1 (0.38) | STK4STK3SIK2STK26STK24 | |
| SCHEMBL25035385 | 0.75 | BRAF (0.45) | ALDH1A1HTTSTK4STK3SIK2 |
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 |