Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4262930 | 0.89 | CYP1A2 (0.46) | MCL1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL16772362 | 0.84 | L3MBTL1 (0.41) | MCL1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL2966882 | 0.83 | GPR84 (0.40) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL26820200 | 0.80 | ESR2 (0.52) | MCL1TSHRALDH1A1ENPP3ENPP1 | |
| SCHEMBL13806960 | 0.79 | ALOX5AP (0.42) | MCL1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL28202338 | 0.79 | ESR2 (0.52) | MCL1TSHRALDH1A1MAPK1ENPP3 | |
| SCHEMBL4266240 | 0.79 | CLK4 (0.43) | MCL1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL13806979 | 0.79 | BRD4 (0.46) | MCL1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL13806973 | 0.78 | AR (0.54) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL20071974 | 0.77 | CYP1A2 (0.49) | MCL1CYP1A2CYP3A4CYP2D6TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8999521-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2015-04-07 | — | — | US | disclosed |
| US-20090146139-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2009-06-11 | — | — | US | disclosed |