Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 SCHEMBL28057004 | 0.84 | TDP1 (0.37) | TDP1ALDH1A1GAAKDM4E | |
| SCHEMBL29367601 | 0.82 | CYP1A2 (0.39) | ALDH1A1GAACYP2C9 | |
| SCHEMBL103309 | 0.82 | CYP1A2 (0.39) | ALDH1A1GAACYP2C9 | |
| Tert-Butyl Formate SCHEMBL27601681 | 0.81 | TDP1 (0.34) | TDP1 | |
| SCHEMBL4113875 | 0.81 | CYP1A2 (0.38) | ALDH1A1GAACYP2C9 | |
| Potassium SCHEMBL31355025 | 0.81 | CYP1A2 (0.38) | ALDH1A1GAACYP2C9 | |
| SCHEMBL1537875 | 0.81 | CYP1A2 (0.38) | ALDH1A1GAACYP2C9 | |
| SCHEMBL1816466 | 0.81 | CYP1A2 (0.38) | ALDH1A1GAACYP2C9 | |
| Ammonia Solution, Strong SCHEMBL1814826 | 0.81 | CYP1A2 (0.38) | ALDH1A1GAACYP2C9 | |
| SCHEMBL27708692 | 0.81 | CYP1A2 (0.38) | ALDH1A1GAACYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101691370-A | Triazolo[4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists | VERNALIS RES LTD | 2010-04-07 | — | — | CN | disclosed |
| 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 |