Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
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 SCHEMBL27584172 | 0.85 | TDP1 (0.39) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27601875 | 0.83 | TDP1 (0.37) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27584105 | 0.83 | TDP1 (0.37) | TDP1 | |
| SCHEMBL5176001 | 0.83 | XDH (0.40) | XDH | |
| Tert-Butyl Formate SCHEMBL27601667 | 0.82 | TDP1 (0.34) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27601710 | 0.82 | TDP1 (0.34) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27800477 | 0.80 | TDP1 (0.33) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27584063 | 0.74 | TDP1 (0.37) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27584058 | 0.72 | NR3C1 (0.42) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28806846 | 0.71 | TDP1 (0.37) | TDP1 |
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 |