Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | TTBK1 | Q5TCY1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6527123 | 0.68 | ALDH1A1 (0.36) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL4627 | 0.68 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL4708652 | 0.68 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| Oxypurinol SCHEMBL5799552 | 0.67 | SMN1; SMN2 (0.37) | XDHRETPI4KALRRK2PI4K2B | |
| Oxypurinol SCHEMBL8905886 | 0.67 | SMN1; SMN2 (0.37) | XDHRETPI4KALRRK2PI4K2B | |
| Oxypurinol SCHEMBL8905476 | 0.67 | SMN1; SMN2 (0.37) | XDHRETPI4KALRRK2PI4K2B | |
| Oxypurinol SCHEMBL8905835 | 0.67 | SMN1; SMN2 (0.37) | XDHRETPI4KALRRK2PI4K2B | |
| SCHEMBL15488747 | 0.67 | PTK2 (0.36) | RETLRRK2CHEK1AURKA | |
| Allopurinol SCHEMBL137084 | 0.67 | XDH (0.59) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL21362860 | 0.67 | XDH (0.59) | XDHRETPI4KALRRK2PI4K2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002034751-A1 | HEXAHYDRO-4-OXOAZEPINO[3,2,1-HI]INDOLES | NOVARTIS AG (CH) | 2002-05-02 | — | — | WO | disclosed |