Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.44 |
| ▸ | USP2 | O75604 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MTOR | P42345 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | RICTOR | Q6R327 | 1/20 | 0.38 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.38 |
| ▸ | MAPKAP1 | Q9BPZ7 | 1/20 | 0.38 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22190728 | 0.88 | KDM5B (0.43) | KDM5BCYP1A2CYP3A4USP2HSD17B10 | |
| SCHEMBL29356116 | 0.88 | KDM5B (0.43) | KDM5BCYP1A2CYP3A4USP2HSD17B10 | |
| SCHEMBL22200463 | 0.87 | MTOR (0.44) | CYP1A2CYP3A4USP2HSD17B10ALDH1A1 | |
| SCHEMBL25035485 | 0.82 | ERN1 (0.48) | CYP1A2CYP3A4USP2HSD17B10ALDH1A1 | |
| SCHEMBL22200437 | 0.81 | MTOR (0.52) | CYP1A2CYP3A4USP2HSD17B10ALDH1A1 | |
| SCHEMBL22200352 | 0.81 | ERN1 (0.40) | CYP1A2CYP3A4USP2HSD17B10ALDH1A1 | |
| SCHEMBL25035391 | 0.81 | ERN1 (0.40) | CYP1A2CYP3A4USP2HSD17B10ALDH1A1 | |
| SCHEMBL22200356 | 0.81 | ERN1 (0.41) | CYP1A2CYP3A4USP2HSD17B10ALDH1A1 | |
| SCHEMBL22200607 | 0.81 | PIK3CA (0.48) | KDM5BMTORERN1PIK3CA | |
| SCHEMBL25035568 | 0.80 | ERN1 (0.45) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 |
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 |