Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29794067 | 0.80 | ADORA2A (0.62) | ADORA2AADORA1HDAC1HDAC3HDAC2 | |
| SCHEMBL10330164 | 0.80 | ADORA2A (0.62) | ADORA2AADORA1HDAC1ADORA3RAB9A | |
| SCHEMBL10329726 | 0.80 | ADORA2A (0.62) | ADORA2AADORA1HDAC1HDAC3HDAC2 | |
| SCHEMBL28688166 | 0.80 | ADORA2A (0.44) | ADORA2AHDAC1 | |
| SCHEMBL28677011 | 0.79 | HDAC1 (0.39) | ADORA2AHDAC1 | |
| SCHEMBL4452836 | 0.71 | ADORA2A (1.00) | ADORA2AADORA1HDAC1HDAC3HDAC2 | |
| SCHEMBL11394345 | 0.70 | SRC (0.47) | ADORA2AADORA1SRCCYP3A4MEN1 | |
| SCHEMBL4454403 | 0.70 | ALDH1A1 (0.51) | ADORA2AADORA1ADORA3RAB9AUSP2 | |
| SCHEMBL30514660 | 0.69 | ADORA2A (1.00) | ADORA2AADORA1HDAC1HDAC3HDAC2 | |
| SCHEMBL29051771 | 0.68 | ADORA2A (0.81) | ADORA2AADORA1HDAC1HDAC3HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113773327-B | Preparation method of pyrazolopyrimidinyltriazole ring compound | 八叶草健康产业研究院(厦门)有限公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-113773327-A | Preparation method of pyrazolopyrimidinyltriazole ring compound | 八叶草健康产业研究院(厦门)有限公司 | 2021-12-10 | — | — | CN | disclosed |