Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | AHR | P35869 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 3/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.30 |
| ▸ | WNT3A | P56704 | 1/20 | 0.30 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 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 SCHEMBL27800465 | 0.90 | GPR84 (0.42) | GPR84CYP2A6AHRTDP1KDR | |
| Tert-Butyl Formate SCHEMBL27601677 | 0.85 | CSNK2A1 (0.43) | GPR84CYP2A6AHRTDP1CSNK2A1 | |
| Tert-Butyl Formate SCHEMBL27491277 | 0.83 | GPR84 (0.47) | GPR84CYP2A6AHRTDP1FEN1 | |
| Tert-Butyl Formate SCHEMBL27584210 | 0.81 | GPR84 (0.49) | GPR84CYP2A6AHRTDP1FEN1 | |
| Tert-Butyl Formate SCHEMBL27779443 | 0.78 | CSNK2A1 (0.41) | CYP2A6AHRTDP1CSNK2A1MEN1 | |
| Tert-Butyl Formate SCHEMBL27584064 | 0.77 | CYP2A6 (0.43) | CYP2A6AHRTDP1NR4A2 | |
| Ethoxycarbonyl Group SCHEMBL27789258 | 0.75 | GPR84 (0.47) | GPR84CYP2A6AHRKDRKLKB1 | |
| Tert-Butyl Formate SCHEMBL27584207 | 0.74 | SLC6A2 (0.36) | TDP1CHRNA7 | |
| SCHEMBL17920373 | 0.74 | GPR84 (0.62) | GPR84CYP2A6AHRCSNK2A1MEN1 | |
| Tert-Butyl Formate SCHEMBL28312448 | 0.72 | AHR (0.64) | CYP2A6AHRTDP1CSNK2A1MEN1 |
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 |