Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SCD | O00767 | 6/20 | 0.44 |
| ▸ | FADS1 | O60427 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11304846 | 0.99 | NPC1 (0.45) | NPC1ALDH1A1PKMRAB9AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL11302741 | 0.84 | NPBWR1 (0.48) | NPC1ALDH1A1RAB9ASCDHDAC6 | |
| SCHEMBL7352293 | 0.80 | NPC1 (0.49) | NPC1ALDH1A1RAB9ANPBWR1 | |
| SCHEMBL8891480 | 0.79 | SCD (0.50) | ALDH1A1SCDNPBWR1 | |
| Hydrochloric Acid SCHEMBL11302544 | 0.79 | NPC1 (0.48) | NPC1ALDH1A1RAB9ANPBWR1 | |
| SCHEMBL7355829 | 0.79 | MEN1 (0.48) | NPC1ALDH1A1RAB9ACYP3A4NPBWR1 | |
| SCHEMBL7357138 | 0.79 | ALDH1A1 (0.41) | NPC1ALDH1A1PKMRAB9AGAA | |
| SCHEMBL7348936 | 0.79 | AURKA (0.42) | NPC1ALDH1A1PKMRAB9AKDR | |
| SCHEMBL7352154 | 0.78 | ALDH1A1 (0.48) | NPC1ALDH1A1RAB9AL3MBTL1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11303090 | 0.78 | SCD (0.49) | ALDH1A1SCDNPBWR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4361563-A | CARDIOTONIC, ANTITHROMBOTIC | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-11-30 | — | — | US | disclosed |
| EP-0008391-A1 | Benzimidazoles, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1980-03-05 | — | — | EP | disclosed |