Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL28542971 | 0.87 | ALDH1A1 (0.43) | SLC6A3ALDH1A1AKR1C3HTTSMN1; SMN2 | |
| SCHEMBL5572153 | 0.86 | BCAT2 (0.54) | ALDH1A1MAPK1BCAT2HTTSMN1; SMN2 | |
| Biphenyl SCHEMBL29199166 | 0.84 | BCAT2 (0.52) | ALDH1A1BCAT2HTTSMN1; SMN2MEN1 | |
| Fluoride SCHEMBL29086928 | 0.82 | BCAT2 (0.50) | ALDH1A1BCAT2HTTSMN1; SMN2MEN1 | |
| SCHEMBL27761886 | 0.81 | AKR1C3 (0.61) | SLC6A3ALDH1A1AKR1C3BCAT2HTT | |
| SCHEMBL28442127 | 0.81 | SLC6A4 (0.53) | SLC6A3MAPK1BCAT2HTTSMN1; SMN2 | |
| SCHEMBL29244385 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPK1AKR1C3SMN1; SMN2NPC1 | |
| SCHEMBL29244386 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPK1AKR1C3SMN1; SMN2NPC1 | |
| SCHEMBL67641 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MAPK1AKR1C3SMN1; SMN2NPC1 | |
| SCHEMBL22115687 | 0.79 | AKR1C3 (0.41) | ALDH1A1MAPK1AKR1C3BCAT2HTT |
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-111454212-A | Aromatic compound containing tetraphenylethylene structure and preparation method and application thereof | 湖南华南光电科技股份有限公司 | 2020-07-28 | — | — | CN | disclosed |