Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8062935 | 0.72 | ALDH1A1 (0.51) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL3596410 | 0.71 | HDAC1 (0.45) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL8058184 | 0.71 | ALDH1A1 (0.44) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL8057115 | 0.70 | ALDH1A1 (0.45) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL21031908 | 0.70 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL8058111 | 0.69 | CA1 (0.44) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL69714 | 0.69 | CA1 (0.55) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL5415041 | 0.69 | SMN1; SMN2 (0.56) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL21032890 | 0.68 | ALDH1A1 (0.44) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 | |
| SCHEMBL24704618 | 0.67 | ALDH1A1 (0.56) | ALDH1A1KDM4EHSD17B10ALOX15CASP1 |
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 |