Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL24027842 | 1.00 | ALDH1A1 (0.43) | ALDH1A1POLBHPGDNR4A1ESR2 | |
| SCHEMBL15618043 | 0.81 | APLNR (0.55) | ALDH1A1POLBHPGDHSD17B10HTT | |
| SCHEMBL25577338 | 0.80 | RECQL (0.43) | ALDH1A1POLBHPGDNR4A1ESR2 | |
| SCHEMBL30212902 | 0.79 | CCNT1 (0.43) | ALDH1A1HSD17B10LMNASYKMEN1 | |
| SCHEMBL24028144 | 0.79 | CCNT1 (0.43) | ALDH1A1HSD17B10LMNASYKMEN1 | |
| SCHEMBL24027944 | 0.75 | POLB (0.39) | ALDH1A1POLBHPGDNR4A1ESR2 | |
| SCHEMBL30212853 | 0.75 | POLB (0.39) | ALDH1A1POLBHPGDNR4A1ESR2 | |
| SCHEMBL17591534 | 0.75 | HSD17B10 (0.55) | ALDH1A1POLBHPGDNR4A1ESR2 | |
| SCHEMBL30636365 | 0.75 | HSD17B10 (0.55) | ALDH1A1POLBHPGDNR4A1ESR2 | |
| SCHEMBL17194890 | 0.74 | MAPK1 (0.43) | ALDH1A1POLBHPGDNR4A1ESR2 |
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-115697974-A | Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof | 美特波米德有限公司 | 2023-02-03 | — | — | CN | disclosed |