Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.34 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16333642 | 0.88 | NOS1 (0.40) | NOS1HPGDGLAALDH1A1SMN1; SMN2 | |
| SCHEMBL3528801 | 0.73 | NOS1 (0.57) | NOS1HPGDGLAALDH1A1HSD17B10 | |
| SCHEMBL28252089 | 0.68 | XDH (0.56) | ALDH1A1 | |
| SCHEMBL25903530 | 0.68 | NOS1 (0.47) | NOS1HPGDALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL1520051 | 0.68 | NOS1 (0.68) | NOS1HPGDALDH1A1HSD17B10KMT2A | |
| SCHEMBL24629160 | 0.67 | ALDH1A1 (0.52) | NOS1HPGDALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL9406903 | 0.67 | PI4KA (0.44) | KDM4CNOS1MAPK1PI4KAPI4K2B | |
| SCHEMBL16333912 | 0.66 | ALDH1A1 (0.49) | MAPK1HPGDHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL9197478 | 0.66 | ALDH1A1 (0.45) | NOS1HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL6933543 | 0.66 | KDM4C (0.54) | KDM4CHPGDHTTPARP1SMN1; SMN2 |
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-0537937-A2 | Substituted pyrazino 2,3-D pyrimidinones as angiotensin II antagonists | MERCK & CO. INC. (US) | 1993-04-21 | — | — | EP | disclosed |