Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | TYMP | P19971 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9845194 | 0.90 | POLB (0.42) | XDHCYP3A4CYP2C19GPR84ALDH1A1 | |
| SCHEMBL6233162 | 0.84 | XDH (0.51) | XDHPARP1GPR84ALDH1A1MAPK1 | |
| SCHEMBL3118423 | 0.79 | XDH (0.54) | XDHPARP1GPR84PI4KAPI4K2B | |
| SCHEMBL11661802 | 0.78 | XDH (0.56) | XDHGPR84PI4KAPI4K2BPI4K2A | |
| SCHEMBL13728720 | 0.78 | XDH (0.43) | XDHCYP3A4CYP2C19PARP1GPR84 | |
| SCHEMBL1892013 | 0.74 | POLB (0.49) | CYP3A4CYP2C19ALDH1A1MAPK1POLB | |
| SCHEMBL1150739 | 0.73 | XDH (0.47) | XDHCYP3A4ALDH1A1MAPK1HPGD | |
| SCHEMBL3848063 | 0.72 | ADORA2B (0.60) | ALDH1A1POLB | |
| SCHEMBL23607958 | 0.71 | MAPT (0.37) | XDHCYP2C19ALDH1A1HPGD | |
| SCHEMBL9414255 | 0.71 | PARP1 (0.46) | PARP1GPR84ALDH1A1MAPK1GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0417790-A2 | S-triazolo[3,4-i]purine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-03-20 | — | — | EP | disclosed |