Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 7/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CASP1 | P29466 | 4/20 | 0.39 |
| ▸ | CASP7 | P55210 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCND2 | P30279 | 1/20 | 0.35 |
| ▸ | CCND3 | P30281 | 1/20 | 0.35 |
| ▸ | RICTOR | Q6R327 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22190717 | 0.81 | CYP1A2 (0.39) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL17807800 | 0.81 | CYP1A2 (0.39) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL30278828 | 0.78 | KDM4E (0.38) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL22190643 | 0.78 | KDM4E (0.38) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL5266289 | 0.77 | CDK4 (0.57) | CDK4CCND1CCND2CCND3 | |
| SCHEMBL34470301 | 0.76 | RORC (0.35) | MTORPIK3CAHSD17B10ALDH1A1HPGD | |
| SCHEMBL27985202 | 0.75 | CDK1 (0.35) | MTORPIK3CAHSD17B10ALDH1A1HPGD | |
| SCHEMBL17807802 | 0.73 | CDK4 (0.37) | MTORCYP1A2HSD17B10ALDH1A1CASP1 | |
| SCHEMBL22200437 | 0.73 | MTOR (0.52) | MTORPIK3CACYP1A2HSD17B10ALDH1A1 | |
| SCHEMBL22200463 | 0.72 | MTOR (0.44) | MTORPIK3CACYP1A2HSD17B10ALDH1A1 |
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 |