Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | MPL | P40238 | 2/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | BMPR1B | O00238 | 2/20 | 0.37 |
| ▸ | BMPR1A | P36894 | 2/20 | 0.37 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.37 |
| ▸ | ATR | Q13535 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28637603 | 0.91 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BADORA3FBP1 | |
| SCHEMBL28637601 | 0.88 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BADORA3FBP1 | |
| SCHEMBL28926809 | 0.83 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BADORA3FBP1 | |
| SCHEMBL28645393 | 0.83 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BADORA3FBP1 | |
| SCHEMBL28646803 | 0.82 | ADORA2A (0.61) | ADORA2AADORA1ADORA2BADORA3FBP1 | |
| SCHEMBL4585764 | 0.81 | ADORA2A (0.68) | ADORA2AADORA1ADORA2BADORA3TGFBR1 | |
| SCHEMBL28658385 | 0.81 | ADORA2A (0.47) | ADORA2AADORA1TGFBR1BMPR1BBMPR1A | |
| SCHEMBL28647185 | 0.81 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BADORA3FBP1 | |
| SCHEMBL28645614 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BADORA3FBP1 | |
| SCHEMBL28637791 | 0.80 | ALDH1A1 (0.57) | ADORA2AADORA1FBP1MAPTKDM4E |
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-109293652-B | Substituted thiazole derivative and application thereof | 四川科伦博泰生物医药股份有限公司 | 2021-10-22 | — | — | CN | disclosed |