Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.61 |
| ▸ | PTPRC | P08575 | 2/20 | 0.53 |
| ▸ | BCL2 | P10415 | 2/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | P4HB | P07237 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL30978710 | 0.87 | S100A4 (0.54) | S100A4PTPRCBCL2MCL1CA1 | |
| Acridine SCHEMBL28153648 | 0.83 | PTPRC (0.46) | S100A4PTPRCBCL2MCL1P4HB | |
| SCHEMBL18992188 | 0.80 | BCL2 (0.58) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL8773094 | 0.79 | PTPRC (0.61) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL39700 | 0.77 | S100A4 (0.90) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL762135 | 0.77 | S100A4 (0.80) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL29514452 | 0.77 | S100A4 (1.00) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL29390614 | 0.77 | S100A4 (0.90) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL29664078 | 0.77 | S100A4 (0.80) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL3717374 | 0.77 | S100A4 (0.80) | S100A4PTPRCBCL2MCL1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106800533-B | A kind of naphthoquinones class electroluminescent organic material and its preparation method and application | 中节能万润股份有限公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-106800533-A | A kind of naphthoquinones class electroluminescent organic material and its preparation method and application | 中节能万润股份有限公司 | 2017-06-06 | — | — | CN | disclosed |