Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.40 |
| ▸ | MMP9 | P14780 | 5/20 | 0.40 |
| ▸ | MMP1 | P03956 | 4/20 | 0.40 |
| ▸ | MMP3 | P08254 | 4/20 | 0.40 |
| ▸ | MMP7 | P09237 | 3/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | ADAM9 | Q13443 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | BCL9 | O00512 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22988011 | 1.00 | ADORA3 (0.40) | ADORA3MMP9MMP1MMP3MMP7 | |
| SCHEMBL22987600 | 1.00 | ADORA3 (0.40) | ADORA3MMP9MMP1MMP3MMP7 | |
| SCHEMBL22988314 | 0.93 | ADORA3 (0.40) | ADORA3MMP9MMP1MMP3MMP7 | |
| SCHEMBL22987917 | 0.93 | MAPT (0.42) | ADORA3MMP9MMP1MMP3MMP7 | |
| SCHEMBL30393181 | 0.93 | ADORA3 (0.40) | ADORA3MMP9MMP1MMP3MMP7 | |
| SCHEMBL22987627 | 0.92 | ADORA3 (0.40) | ADORA3MMP9MMP1MMP3MMP7 | |
| SCHEMBL25118867 | 0.92 | ADORA3 (0.40) | ADORA3MMP9MMP1MMP3MMP7 | |
| SCHEMBL22988108 | 0.92 | TRPC3 (0.39) | ADORA3ADORA2AADORA1MAPTKDM1A | |
| SCHEMBL22987799 | 0.92 | TRPC3 (0.39) | ADORA3ADORA2AADORA1MAPTKDM1A | |
| SCHEMBL22987722 | 0.92 | TRPC3 (0.39) | ADORA3ADORA2AADORA1MAPT |
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 | disclosed |