Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | C1R | P00736 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31149931 | 0.92 | ADORA3 (0.49) | ADORA3POLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29645686 | 0.84 | ADORA3 (0.50) | ADORA3ALDH1A1ADORA2AADORA1HSD17B10 | |
| SCHEMBL29645760 | 0.83 | MAPT (0.56) | ADORA3POLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29645430 | 0.83 | NPC1 (0.48) | ADORA3POLBKDM4EALDH1A1MAPT | |
| SCHEMBL29646402 | 0.82 | ADK (0.42) | POLBSMN1; SMN2KDM4EALDH1A1MAPT | |
| SCHEMBL29645999 | 0.79 | MAPT (0.40) | ADORA3POLBKDM4EALDH1A1MAPT | |
| SCHEMBL29645888 | 0.79 | MAPT (0.55) | ADORA3POLBMAPTADORA2AADORA1 | |
| SCHEMBL29645636 | 0.79 | MAPT (0.47) | ADORA3POLBALDH1A1MAPTADORA2A | |
| SCHEMBL29645503 | 0.79 | ADORA3 (0.49) | ADORA3POLBMAPTADORA2AADORA1 | |
| SCHEMBL29645527 | 0.79 | MAPT (0.41) | POLBMAPTADKTP53 |
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-114466850-A | [1,2,4] triazolo [1,5-C ] quinazolin-5-amines | 拜耳股份有限公司 | 2022-05-10 | — | — | CN | claimed |