Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21725122 | 0.98 | ALDH1A1 (0.57) | ALDH1A1GAAHSD17B10MAPK1HRH3 | |
| SCHEMBL2377170 | 0.82 | HRH3 (0.64) | HRH3 | |
| SCHEMBL25859539 | 0.78 | RAB9A (0.42) | ALDH1A1GAAHSD17B10MAPK1RAB9A | |
| SCHEMBL31492979 | 0.78 | TDP1 (0.43) | ALDH1A1GAAHSD17B10MAPK1RAB9A | |
| SCHEMBL21737993 | 0.77 | GAA (0.38) | ALDH1A1GAAHSD17B10MAPK1HRH3 | |
| SCHEMBL23975594 | 0.76 | ALDH1A1 (0.59) | ALDH1A1GAAHSD17B10MAPK1HRH3 | |
| SCHEMBL5631018 | 0.76 | ALDH1A1 (1.00) | ALDH1A1GAAHSD17B10MAPK1HRH3 | |
| SCHEMBL11372459 | 0.76 | ALDH1A1 (1.00) | ALDH1A1GAAHSD17B10MAPK1HRH3 | |
| SCHEMBL14479660 | 0.76 | ALDH1A1 (0.59) | ALDH1A1GAAHSD17B10MAPK1HRH3 | |
| SCHEMBL21738073 | 0.75 | GAA (0.36) | ALDH1A1GAAHSD17B10MAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023186069-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2023-10-05 | — | — | WO | disclosed |
| WO-2020036986-A1 | THIADIAZOLE IRAK4 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2020-02-20 | — | — | WO | disclosed |