Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.90 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.90 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28465796 | 0.95 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL29407079 | 0.95 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| Benzene SCHEMBL28328298 | 0.95 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL27950997 | 0.95 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL25981 | 0.95 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| Methyl Alcohol SCHEMBL27690297 | 0.92 | ALDH1A1 (0.85) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| Bromide SCHEMBL5256514 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| Biphenyl SCHEMBL10703079 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| Water SCHEMBL11160127 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD | |
| Water SCHEMBL5177338 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD |
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 |