Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.46 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | NMT2 | O60551 | 1/20 | 0.44 |
| ▸ | NMT1 | P30419 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4276677 | 0.89 | MCL1 (0.44) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL4263568 | 0.86 | TLR8 (0.47) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL4266240 | 0.85 | CLK4 (0.43) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL13806973 | 0.84 | AR (0.54) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL20071974 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL4263577 | 0.83 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL13806979 | 0.81 | BRD4 (0.46) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL7123301 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL13806981 | 0.80 | CYP1A2 (0.36) | CYP1A2CYP3A4CLK4TSHRCYP2C19 | |
| SCHEMBL3806326 | 0.80 | KIF11 (0.55) | CYP1A2CYP3A4TSHRCYP2D6ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1999226-B1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2015-08-12 | — | — | EP | disclosed |
| 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 |
| EP-1999226-A1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007110129-A1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2007-10-04 | — | — | WO | disclosed |