Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL55973 | 0.85 | CYP1A2 (0.43) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL4262930 | 0.83 | CYP1A2 (0.46) | CYP1A2ALDH1A1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL29771054 | 0.80 | CA12 (0.41) | CYP1A2ALDH1A1CYP2C19CYP2C9CYP2A6 | |
| SCHEMBL22345737 | 0.80 | CA12 (0.41) | CYP1A2ALDH1A1CYP2C19CYP2C9CYP2A6 | |
| SCHEMBL29770958 | 0.80 | CA12 (0.41) | CYP1A2ALDH1A1CYP2C19CYP2C9CYP2A6 | |
| SCHEMBL22345783 | 0.80 | CA12 (0.41) | CYP1A2ALDH1A1CYP2C19CYP2C9CYP2A6 | |
| SCHEMBL260441 | 0.78 | CYP1A2 (0.68) | CYP1A2ALDH1A1CYP3A4TSHRCYP2A6 | |
| SCHEMBL2380918 | 0.78 | CYP1A2 (0.68) | CYP1A2ALDH1A1CYP3A4TSHRCYP2A6 | |
| SCHEMBL29416731 | 0.78 | CYP1A2 (0.68) | CYP1A2ALDH1A1CYP3A4TSHRCYP2A6 | |
| SCHEMBL4264605 | 0.77 | SMN1; SMN2 (0.49) | CYP1A2ALDH1A1CYP3A4TSHRMAPK1 |
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 |