Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31149921 | 0.91 | ADORA3 (0.35) | ADORA3ADORA2AADORA1METTP53 | |
| SCHEMBL29645548 | 0.90 | ADORA3 (0.37) | ADORA3ADORA2AADORA1METBRD4 | |
| SCHEMBL29645797 | 0.90 | JAK2 (0.32) | ADORA3ADORA2AADORA1METTP53 | |
| SCHEMBL29646046 | 0.90 | ADORA1 (0.36) | ADORA3ADORA2AADORA1METBRD4 | |
| SCHEMBL29646030 | 0.89 | KMT2A (0.35) | ADORA3ADORA2AADORA1TP53 | |
| SCHEMBL29645614 | 0.88 | TTK (0.39) | ADORA3ADORA2AADORA1BRD4TP53 | |
| SCHEMBL29645875 | 0.88 | AXL (0.37) | ADORA3ADORA2AADORA1METBRD4 | |
| SCHEMBL29645800 | 0.87 | CHEK1 (0.34) | ADORA3ADORA2AADORA1BRD4KDM1A | |
| SCHEMBL29645421 | 0.87 | TTK (0.31) | — | |
| SCHEMBL29645782 | 0.86 | MAPT (0.43) | ADORA3ADORA2AADORA1KDM1AALK |
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 |