Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ELANE | P08246 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL28143252 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP3A4ELANEL3MBTL1 | |
| SCHEMBL16227196 | 0.82 | CYP1A2 (0.74) | ALDH1A1CYP1A2CYP3A4ELANEL3MBTL1 | |
| SCHEMBL14982137 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4L3MBTL1MAPT | |
| SCHEMBL28144150 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4ELANEMAPT | |
| SCHEMBL6905135 | 0.77 | ALDH1A1 (0.77) | ALDH1A1CYP1A2CYP3A4ELANEL3MBTL1 | |
| SCHEMBL9642071 | 0.76 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4L3MBTL1MAPT | |
| SCHEMBL29518420 | 0.75 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4L3MBTL1MAPT | |
| SCHEMBL9514208 | 0.75 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4L3MBTL1MAPT | |
| SCHEMBL16226679 | 0.75 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4ELANEL3MBTL1 | |
| SCHEMBL4627668 | 0.75 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4L3MBTL1MAPT |
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-104250246-B | Anthraquinone thiazole compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2017-05-10 | — | — | CN | disclosed |
| CN-104250246-A | Anthraquinone thiazole compound, preparation method and application thereof | SHANGHAI INST MATERIA MEDICA | 2014-12-31 | — | — | CN | disclosed |