Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293323 | 0.88 | ADORA1 (0.49) | ALDH1A1HSD17B10MAPTHPGDKDM4E | |
| SCHEMBL4107003 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HSD17B10MAPTLMNAHPGD | |
| SCHEMBL18729038 | 0.77 | HSD17B10 (0.43) | ALDH1A1HSD17B10MAPTLMNAHPGD | |
| SCHEMBL21068 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10MAPTLMNAHPGD | |
| SCHEMBL29423352 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10MAPTLMNAHPGD | |
| SCHEMBL30574434 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10MAPTLMNAHPGD | |
| SCHEMBL20657073 | 0.77 | HSD17B10 (0.57) | ALDH1A1HSD17B10MAPTLMNAHPGD | |
| SCHEMBL27795692 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HPGDMEN1KMT2A | |
| SCHEMBL1668346 | 0.76 | TTR (0.49) | ALDH1A1HSD17B10MAPTHPGDKDM4E | |
| SCHEMBL29798181 | 0.74 | HSD17B10 (0.43) | ALDH1A1HSD17B10MAPTHPGDKDM4E |
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-109776590-A | A kind of organic photoelectrical material and its application | 中节能万润股份有限公司 | 2019-05-21 | — | — | CN | disclosed |