Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | NPC1 | O15118 | 8/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.37 |
| ▸ | RAB9A | P51151 | 7/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 3/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10740157 | 0.89 | ALDH1A1 (0.37) | ALDH1A1NPC1KDM4ERAB9AGPR55 | |
| SCHEMBL9634414 | 0.85 | PDE5A (0.40) | ALDH1A1NPC1KDM4ERAB9AGPR55 | |
| SCHEMBL10739221 | 0.81 | ALDH1A1 (0.33) | ALDH1A1NPC1KDM4ERAB9AGPR55 | |
| SCHEMBL10735012 | 0.77 | NPC1 (0.36) | ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL10742455 | 0.76 | GAA (0.36) | ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL9635097 | 0.75 | KDM4E (0.41) | ALDH1A1NPC1KDM4ERAB9AGPR55 | |
| SCHEMBL10739358 | 0.73 | PDE5A (0.39) | ALDH1A1NPC1KDM4ERAB9AGPR55 | |
| SCHEMBL10736882 | 0.73 | MAOB (0.48) | PDE5A | |
| SCHEMBL10740250 | 0.72 | METAP2 (0.45) | PDE5A | |
| SCHEMBL11063370 | 0.71 | PDE5A (0.48) | ALDH1A1NPC1KDM4ERAB9AGPR55 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4654344-A | ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-03-31 | — | — | US | disclosed |
| EP-0093951-B1 | 2-ARYL-TETRAAZAINDENES | MERCK PATENT GmbH (DE) | 1986-10-29 | — | — | EP | disclosed |
| US-4575505-A | Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-03-11 | — | — | US | disclosed |
| US-4477454-A | INDOTROPIC AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-16 | — | — | US | disclosed |
| EP-0093951-A2 | 2-Aryl-tetraazaindenes | MERCK PATENT GmbH (DE) | 1983-11-16 | — | — | EP | disclosed |