Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 7/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16995360 | 0.82 | BRD4 (0.36) | BRD4PTGS2F2PLGPRSS1 | |
| SCHEMBL4262930 | 0.81 | CYP1A2 (0.46) | MCL1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL4276677 | 0.79 | MCL1 (0.44) | MCL1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL8664846 | 0.75 | CYP1A2 (0.49) | NCOA1NCOA3CYP1A2CYP3A4TSHR | |
| SCHEMBL4266240 | 0.72 | CLK4 (0.43) | MCL1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL13806958 | 0.71 | STK10 (0.45) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL13806973 | 0.71 | AR (0.54) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL13806959 | 0.71 | TNKS2 (0.44) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| Diphenylether SCHEMBL9751558 | 0.70 | LTA4H (0.52) | BRD4PTGS2NCOA1NCOA3TSHR | |
| SCHEMBL20071974 | 0.70 | 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 5 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-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 |
| US-20090146139-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2009-06-11 | — | — | US | disclosed |
| WO-2007110129-A1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2007-10-04 | — | — | WO | disclosed |