Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27584210 | 0.83 | GPR84 (0.49) | CSNK2A1CYP2A6TDP1AHRGPR84 | |
| SCHEMBL615624 | 0.83 | CSNK2A1 (0.60) | CSNK2A1CYP2A6AHRNR4A2CMA1 | |
| Ethoxycarbonyl Group SCHEMBL27552359 | 0.82 | CSNK2A1 (0.43) | CSNK2A1CYP2A6AHRNR4A2CMA1 | |
| Tert-Butyl Formate SCHEMBL27601677 | 0.81 | CSNK2A1 (0.43) | CSNK2A1CYP2A6TDP1AHRNR4A2 | |
| Tert-Butyl Formate SCHEMBL27591863 | 0.79 | AHR (0.64) | CSNK2A1CYP2A6TDP1AHRNR4A2 | |
| Tert-Butyl Formate SCHEMBL27591785 | 0.79 | AHR (0.64) | CSNK2A1CYP2A6TDP1AHRNR4A2 | |
| Tert-Butyl Formate SCHEMBL27779443 | 0.79 | CSNK2A1 (0.41) | CSNK2A1CYP2A6TDP1AHRNR4A2 | |
| SCHEMBL8529490 | 0.76 | CSNK2A1 (0.55) | CSNK2A1CYP2A6AHRNR4A2CMA1 | |
| Tert-Butyl Formate SCHEMBL27752469 | 0.74 | CYP2A6 (0.46) | CYP2A6TDP1AHRNR4A2F7 | |
| Tert-Butyl Formate SCHEMBL27751361 | 0.74 | AHR (0.64) | CSNK2A1CYP2A6TDP1AHRNR4A2 |
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-101214248-A | Triazolo[4,5-d] pyrimidine derivatives and their application as purinergic receptor antagonists | VERNALIS RES LTD (GB) | 2008-07-09 | — | — | CN | disclosed |
| CN-1496262-A | Triazolo [4, 5-d ] pyrimidine derivatives and their use as purinergic receptor antagonists | О | 2004-05-12 | — | — | CN | disclosed |