Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | S100A4 | P26447 | 3/20 | 0.56 |
| ▸ | PTPRC | P08575 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | APEX1 | P27695 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | STAT6 | P42226 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL155146 | 0.98 | ALDH1A1 (0.69) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| SCHEMBL27987835 | 0.97 | ALDH1A1 (0.67) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| Nitric Acid SCHEMBL11884408 | 0.94 | ALDH1A1 (0.63) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| SCHEMBL630898 | 0.92 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| SCHEMBL29274241 | 0.88 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| SCHEMBL2983469 | 0.88 | PTPRC (0.57) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| SCHEMBL8343806 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| SCHEMBL8973490 | 0.86 | BCHE (0.53) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| SCHEMBL11303101 | 0.80 | S100A4 (0.56) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 | |
| SCHEMBL11583512 | 0.80 | MAOA (0.59) | ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1 |
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-104262161-B | A kind of 1,8-dihydroxy-4,5-dinitroanthraquinone lead compound and its preparation method and application | 西安近代化学研究所 | 2016-09-14 | — | — | CN | disclosed |