Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29077344 | 0.96 | HNF4A (0.39) | ALDH1A1HNF4AHSD17B10BCL2L1MAPK1 | |
| SCHEMBL15069341 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HNF4AHSD17B10BCL2L1MAPK1 | |
| Water SCHEMBL432858 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HNF4AHSD17B10BCL2L1MAPK1 | |
| SCHEMBL7464322 | 0.82 | CYP2A6 (0.52) | ALDH1A1HNF4AHSD17B10BCL2L1HPGD | |
| SCHEMBL27932445 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HNF4AHSD17B10BCL2L1MAPK1 | |
| SCHEMBL27851311 | 0.82 | PTGS2 (0.43) | ALDH1A1HSD17B10BCL2L1MAPK1HPGD | |
| SCHEMBL1371612 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HSD17B10BCL2L1MAPK1HPGD | |
| SCHEMBL9334552 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HNF4AHSD17B10BCL2L1MAPK1 | |
| SCHEMBL25683 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HNF4AHSD17B10BCL2L1MAPK1 | |
| SCHEMBL2448872 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HNF4AHSD17B10BCL2L1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3390381-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2018-10-24 | — | — | EP | disclosed |
| WO-2017102064-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |