Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.43 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22345775 | 0.88 | MCL1 (0.49) | TLR8ALDH1A1MCL1ACMSDENPP3 | |
| SCHEMBL29770904 | 0.88 | MCL1 (0.49) | TLR8ALDH1A1MCL1ACMSDENPP3 | |
| SCHEMBL4262930 | 0.86 | CYP1A2 (0.46) | ALDH1A1MCL1CA12CA1CA2 | |
| SCHEMBL13806997 | 0.85 | MCL1 (0.39) | TLR8ALDH1A1CYP2A6MCL1ACMSD | |
| SCHEMBL13304162 | 0.85 | TLR8 (0.36) | TLR8ALDH1A1CYP2A6MCL1ACMSD | |
| SCHEMBL22345783 | 0.83 | CA12 (0.41) | TLR8ALDH1A1CYP2A6MCL1ACMSD | |
| SCHEMBL29770958 | 0.83 | CA12 (0.41) | TLR8ALDH1A1CYP2A6MCL1ACMSD | |
| SCHEMBL22345737 | 0.83 | CA12 (0.41) | TLR8ALDH1A1CYP2A6MCL1ACMSD | |
| SCHEMBL29771054 | 0.83 | CA12 (0.41) | TLR8ALDH1A1CYP2A6MCL1ACMSD | |
| SCHEMBL2955115 | 0.83 | CA12 (0.45) | ALDH1A1MCL1ACMSDENPP3ENPP1 |
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 |