Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 2/20 | 0.57 |
| ▸ | S100A4 | P26447 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 2/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL13828210 | 0.95 | PTPRC (0.57) | PTPRCS100A4CYP1A2MAPK1L3MBTL1 | |
| SCHEMBL26112719 | 0.88 | PTPRC (0.70) | PTPRCS100A4CYP1A2MAPK1L3MBTL1 | |
| SCHEMBL7866191 | 0.88 | PTPRC (0.70) | PTPRCS100A4CYP1A2MAPK1L3MBTL1 | |
| SCHEMBL205625 | 0.85 | S100A4 (0.56) | PTPRCS100A4MAPK1L3MBTL1TDP1 | |
| SCHEMBL13896688 | 0.84 | PTPRC (0.71) | PTPRCS100A4CYP1A2MAPK1L3MBTL1 | |
| SCHEMBL29997437 | 0.80 | S100A4 (0.68) | PTPRCS100A4MAPK1L3MBTL1TDP1 | |
| SCHEMBL17923653 | 0.77 | PTPRC (0.57) | PTPRCS100A4CYP1A2MAPK1L3MBTL1 | |
| SCHEMBL29524280 | 0.77 | PTPRC (0.83) | PTPRCS100A4CYP1A2MAPK1L3MBTL1 | |
| SCHEMBL3948979 | 0.77 | PTPRC (0.91) | PTPRCS100A4CYP1A2MAPK1L3MBTL1 | |
| SCHEMBL30523603 | 0.77 | PTPRC (0.83) | PTPRCS100A4CYP1A2MAPK1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017102063-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |