Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 2/20 | 0.56 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4624542 | 0.80 | PNP (0.60) | PNPTLR7ADORA3MEN1KMT2A | |
| SCHEMBL5641835 | 0.80 | PNP (0.60) | PNPTLR7ADORA3MEN1KMT2A | |
| SCHEMBL18113976 | 0.79 | ADORA2B (0.48) | ADORA3MEN1KMT2AKDM4EHPGD | |
| SCHEMBL22560010 | 0.77 | PNP (0.65) | PNPTLR7HPGDALDH1A1ADORA2A | |
| SCHEMBL4202515 | 0.76 | PNP (0.53) | PNPTLR7ADORA3MEN1KMT2A | |
| SCHEMBL4193079 | 0.75 | PNP (0.52) | PNPTLR7ADORA3MEN1KMT2A | |
| SCHEMBL8355232 | 0.73 | ADORA3 (0.65) | PNPTLR7ADORA3MEN1KMT2A | |
| SCHEMBL9032111 | 0.72 | PNP (1.00) | PNPTLR7ADORA3KMT2AHPGD | |
| SCHEMBL9904017 | 0.71 | GAA (0.47) | KMT2AKDM4EHPGDTSHRALDH1A1 | |
| SCHEMBL1948025 | 0.71 | ADORA2B (0.67) | ADORA3ADORA2AADORA2B |
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-2016159746-A1 | NOVEL ETHYNYLXANTHINES, THEIR PREPARATION AND USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AND ANGIOGENESIS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | disclosed |