Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 SCHEMBL27584207 | 0.90 | SLC6A2 (0.36) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Tert-Butyl Formate SCHEMBL27800477 | 0.86 | TDP1 (0.33) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28785938 | 0.85 | GRM2 (0.33) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28806846 | 0.79 | TDP1 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Tert-Butyl Formate SCHEMBL27584105 | 0.79 | TDP1 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Tert-Butyl Formate SCHEMBL27596761 | 0.79 | HDAC1 (0.41) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27601667 | 0.76 | TDP1 (0.34) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27800474 | 0.76 | TDP1 (0.32) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27800465 | 0.76 | GPR84 (0.42) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27601685 | 0.75 | AHR (0.33) | SLC6A2SLC6A4SLC6A3TDP1 |
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 1 patent. 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 |