Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10310314 | 0.83 | GAA (0.62) | GAAALDH1A1MAPTNPSR1THRB | |
| SCHEMBL12224768 | 0.80 | POLB (0.45) | HTTPOLBCA12CA1CA2 | |
| Naphthalene SCHEMBL11668256 | 0.78 | POLB (0.49) | HTTPOLBCA12CA1CA2 | |
| Sulfuric Acid SCHEMBL21799346 | 0.78 | ALDH1A1 (0.57) | HTTPOLBALDH1A1MAPTL3MBTL1 | |
| SCHEMBL10485968 | 0.78 | SNCA (0.44) | HTTPOLBCA12CA1CA2 | |
| SCHEMBL28038064 | 0.76 | SNCA (0.42) | HTTPOLBCA12CA1CA2 | |
| SCHEMBL3714533 | 0.75 | ALDH1A1 (0.53) | HTTPOLBCA12CA1CA2 | |
| SCHEMBL2694581 | 0.74 | CASP1 (0.45) | HTTPOLBGAAALDH1A1MAPT | |
| SCHEMBL28785155 | 0.74 | NLRP3 (0.56) | HTTPOLBCA12CA1CA2 | |
| SCHEMBL29707260 | 0.73 | CASR (0.56) | POLBGAAALDH1A1MAPTRAB9A |
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-113350509-B | Pharmaceutical composition and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2022-09-06 | — | — | CN | disclosed |
| CN-113350509-A | Pharmaceutical composition and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2021-09-07 | — | — | CN | disclosed |