Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | NMT2 | O60551 | 1/20 | 0.35 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13806973 | 0.81 | AR (0.54) | ARCYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL4262930 | 0.80 | CYP1A2 (0.46) | ARMCL1CYP1A2CYP3A4CLK4 | |
| SCHEMBL4276677 | 0.77 | MCL1 (0.44) | MCL1CYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL4266240 | 0.71 | CLK4 (0.43) | MCL1CYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL13806979 | 0.70 | BRD4 (0.46) | MCL1CYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL1191671 | 0.70 | CRHBP (0.35) | ARCYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL28628323 | 0.69 | ALDH1A1 (0.43) | CYP3A4ALDH1A1MAPK1CNR1CNR2 | |
| SCHEMBL20071974 | 0.69 | CYP1A2 (0.49) | ARMCL1CYP1A2CYP3A4CLK4 | |
| SCHEMBL9421204 | 0.69 | ESR1 (0.46) | CYP3A4TSHRALDH1A1MAPK1CNR1 | |
| SCHEMBL4263568 | 0.69 | TLR8 (0.47) | MCL1CYP1A2CYP3A4CLK4CYP2D6 |
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 3 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 |