Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 1/20 | 0.55 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.55 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.55 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.55 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30677290 | 0.83 | CYP1A2 (0.46) | PI4KAPI4K2BPI4K2API4KBCYP1A2 | |
| SCHEMBL27695976 | 0.81 | PI4KA (0.55) | PI4KAPI4K2BPI4K2API4KBHCAR1 | |
| SCHEMBL29240138 | 0.79 | PI4KA (0.57) | PI4KAPI4K2BPI4K2API4KBHCAR1 | |
| SCHEMBL28950114 | 0.78 | SRC (0.44) | PI4KAPI4K2BPI4K2API4KBHCAR1 | |
| SCHEMBL2488058 | 0.78 | POLB (0.53) | PI4KAPI4K2BPI4K2API4KBHCAR1 | |
| SCHEMBL10094611 | 0.78 | HCAR1 (0.50) | PI4KAPI4K2BPI4K2API4KBHCAR1 | |
| SCHEMBL680855 | 0.77 | FGFR1 (0.56) | PI4KAPI4K2BPI4K2API4KBHCAR1 | |
| SCHEMBL28204981 | 0.77 | POLB (0.43) | CYP1A2CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL27745688 | 0.76 | PI4KA (0.52) | PI4KAPI4K2BPI4K2API4KBHCAR1 | |
| Hydrochloric Acid SCHEMBL4456679 | 0.76 | FGFR1 (0.54) | PI4KAPI4K2BPI4K2API4KBHCAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |