Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19853768 | 0.80 | ATM (0.41) | ATMGRIN1GRIN2BCYP1A2CYP2D6 | |
| SCHEMBL5032771 | 0.80 | NFE2L2 (0.45) | ATMGRIN1GRIN2BCYP1A2CYP2D6 | |
| SCHEMBL25657095 | 0.78 | ATM (0.44) | AKT1ATMGRIN1GRIN2BCYP1A2 | |
| SCHEMBL18868783 | 0.77 | AKT1 (0.46) | AKT1ATMCES2CES1NPSR1 | |
| SCHEMBL20470769 | 0.77 | AKT1 (0.46) | AKT1ATMCES2CES1NPSR1 | |
| SCHEMBL21920995 | 0.74 | CYP2C9 (0.45) | CYP1A2CYP2D6HSD17B10CES2CES1 | |
| SCHEMBL27910238 | 0.74 | AKT1 (0.48) | AKT1ATMGRIN1GRIN2BCES2 | |
| SCHEMBL23712239 | 0.73 | KDM4E (0.43) | CES2CES1ALDH1A1LMNAMAPK1 | |
| SCHEMBL19773599 | 0.72 | AKT1 (0.46) | AKT1ATMGRIN1GRIN2BHSD17B10 | |
| SCHEMBL21943566 | 0.72 | AKT1 (0.42) | AKT1ATMCES2CES1ALDH1A1 |
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-2019017697-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2019-01-24 | — | — | WO | disclosed |