Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27800467 | 0.89 | HTR2A (0.41) | HTR2AHTR2CBCHENR3C1PGR | |
| SCHEMBL2399846 | 0.82 | AHR (0.50) | HTR2AHTR2CNR3C1PGRNR3C2 | |
| Tert-Butyl Formate SCHEMBL27601710 | 0.81 | TDP1 (0.34) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27584070 | 0.80 | TDP1 (0.33) | TDP1AHR | |
| Tert-Butyl Formate SCHEMBL27584058 | 0.80 | NR3C1 (0.42) | BCHENR3C1PGRNR3C2AR | |
| Tert-Butyl Formate SCHEMBL27751459 | 0.78 | AHR (0.64) | BCHENR3C1PGRNR3C2AR | |
| SCHEMBL27743076 | 0.73 | BACE1 (0.42) | HTR2AHTR2CBCHENR3C1PGR | |
| SCHEMBL14256041 | 0.73 | AHR (0.42) | HTR2AHTR2CBCHENR3C1PGR | |
| SCHEMBL593512 | 0.71 | AHR (0.50) | BCHENR3C1PGRNR3C2AR | |
| Indole SCHEMBL27701507 | 0.71 | CA1 (0.59) | NR3C1PGRNR3C2ARTDP1 |
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 |