Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 2/20 | 0.38 |
| ▸ | BCL2 | P10415 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28903176 | 1.00 | S100A4 (0.42) | S100A4TGM2CES1PTPRCBCL2 | |
| SCHEMBL39701 | 0.86 | S100A4 (0.42) | S100A4TGM2CES1PTPRCBCL2 | |
| SCHEMBL29090111 | 0.83 | S100A4 (0.40) | S100A4TGM2CES1HSP90AA1 | |
| SCHEMBL827619 | 0.79 | PTPRC (0.41) | S100A4CES1PTPRCMAPK1ACHE | |
| SCHEMBL28550903 | 0.73 | TGM2 (0.34) | TGM2CES1 | |
| SCHEMBL12469933 | 0.70 | S100A4 (0.39) | S100A4TGM2CES1PTPRCBCL2 | |
| SCHEMBL28915106 | 0.70 | NPC1 (0.41) | L3MBTL1CA1CA2CA9 | |
| SCHEMBL15554834 | 0.70 | MEN1 (0.42) | PTPRCL3MBTL1MAPK1PARP10 | |
| SCHEMBL27762245 | 0.69 | PTPRC (0.46) | S100A4CES1PTPRCMCL1TDP1 | |
| SCHEMBL9811013 | 0.69 | PTPN1 (0.37) | CA1CA2CA7CA9ACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-114516790-A | Synthesis and luminescence of bis-benzophenanthracenone pentanone discotic liquid crystal compound | 四川师范大学 | 2022-05-20 | — | — | CN | disclosed |