Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | AMY1A | P0DUB6 | 8/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CDKN1A | P38936 | 3/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7357077 | 0.86 | ABCB11 (0.52) | KDM4EMEN1ALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL11304721 | 0.85 | ABCB11 (0.52) | KDM4EMEN1ALDH1A1GAAMAPT | |
| SCHEMBL7350293 | 0.83 | NPC1 (0.49) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL11306274 | 0.83 | AMY1A (0.43) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL7352293 | 0.83 | NPC1 (0.49) | MEN1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11302741 | 0.83 | NPBWR1 (0.48) | KDM4EMEN1ALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL11307551 | 0.82 | AMY1A (0.42) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL11302544 | 0.82 | NPC1 (0.48) | MEN1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL7355829 | 0.82 | MEN1 (0.48) | KDM4EMEN1ALDH1A1GAAMAPT | |
| SCHEMBL8891480 | 0.82 | SCD (0.50) | ALDH1A1SMN1; SMN2CHEK2 |
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 |