Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | CASP7 | P55210 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8060726 | 0.85 | TSHR (0.34) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8057115 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8056874 | 0.80 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8060757 | 0.79 | KDM4E (0.37) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8057305 | 0.76 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8060713 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8062771 | 0.74 | ALDH1A1 (0.36) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8056444 | 0.73 | ALDH1A1 (0.36) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL8056973 | 0.73 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8058099 | 0.73 | RAB9A (0.38) | ALDH1A1KDM4EHPGDMAPTNPC1 |
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 |