Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 13/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 12/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2163538 | 0.86 | DAGLA (0.52) | ALDH1A1PKML3MBTL1HTTDAGLA | |
| SCHEMBL2554648 | 0.79 | HTT (0.67) | ALDH1A1HTTMEN1KMT2AHSD17B10 | |
| SCHEMBL3233714 | 0.76 | HTT (0.71) | ALDH1A1PKML3MBTL1HTTMEN1 | |
| SCHEMBL4528391 | 0.75 | HTT (0.66) | ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL1179214 | 0.75 | ALDH1A1 (0.60) | ALDH1A1PKML3MBTL1HTTMEN1 | |
| SCHEMBL28816256 | 0.75 | MAPT (0.64) | ALDH1A1PKMHTTDAGLAKMT2A | |
| SCHEMBL8593668 | 0.74 | HTT (0.68) | ALDH1A1HTTMEN1KMT2ATSHR | |
| SCHEMBL3335119 | 0.74 | HTT (0.72) | ALDH1A1L3MBTL1HTTHSD17B10 | |
| SCHEMBL3230760 | 0.74 | HTT (0.68) | ALDH1A1HTTMEN1KMT2ATSHR | |
| SCHEMBL28816280 | 0.74 | HTT (0.68) | ALDH1A1PKML3MBTL1HTTMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114933573-A | 3-substituted-1, 2, 4-oxadiazole-5-carboxylic acid derivative, and preparation method and application thereof | 贵州大学 | 2022-08-23 | — | — | CN | claimed |
| CN-114933573-B | 3-substituted-1, 2, 4-oxadiazole-5-carboxylic acid derivative, and preparation method and application thereof | 贵州大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-114933573-A | 3-substituted-1, 2, 4-oxadiazole-5-carboxylic acid derivative, and preparation method and application thereof | 贵州大学 | 2022-08-23 | — | — | CN | disclosed |