Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | CASP7 | P55210 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL8056948 | 0.81 | ALDH1A1 (0.33) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL8057307 | 0.75 | CHRNB2 (0.44) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL8057092 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL8060631 | 0.73 | ALDH1A1 (0.56) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL8062888 | 0.73 | ALDH1A1 (0.42) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL8045098 | 0.72 | NPC1 (0.44) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL8056884 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL8045298 | 0.72 | ALDH1A1 (0.48) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL18890974 | 0.69 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15LMNAHSD17B10 | |
| SCHEMBL21383082 | 0.69 | ALDH1A1 (0.61) | ALDH1A1KDM4EALOX15LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6028069-A | Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |