Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | TAF1 | P21675 | 1/20 | 0.32 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.32 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | IKBKB | O14920 | 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 SCHEMBL27601671 | 0.85 | XDH (0.40) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27584063 | 0.85 | TDP1 (0.37) | TDP1HRH4BRD4TAF1BRPF1 | |
| Tert-Butyl Formate SCHEMBL27601875 | 0.85 | TDP1 (0.37) | TDP1HRH4IKBKBCHUK | |
| Tert-Butyl Formate SCHEMBL27584105 | 0.85 | TDP1 (0.37) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27601710 | 0.82 | TDP1 (0.34) | TDP1 | |
| SCHEMBL4798726 | 0.82 | CYP1A2 (0.40) | KMT2AHRH4BRD4TAF1BRPF1 | |
| Tert-Butyl Formate SCHEMBL27584058 | 0.80 | NR3C1 (0.42) | TDP1BRD4TAF1BRPF1CREBBP | |
| Tert-Butyl Formate SCHEMBL28806846 | 0.74 | TDP1 (0.37) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28785938 | 0.71 | GRM2 (0.33) | TDP1IKBKB | |
| Tert-Butyl Formate SCHEMBL27601686 | 0.71 | CSNK2A1 (0.44) | TDP1KMT2ABRD4GRIN2DGRIN3B |
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 |