Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8062896 | 0.84 | TSHR (0.35) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL8060632 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL8063009 | 0.78 | — | — | |
| SCHEMBL8056369 | 0.77 | ALDH1A1 (0.39) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL8057061 | 0.76 | KDM4E (0.36) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL8062907 | 0.76 | RARA (0.39) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL8045338 | 0.75 | ALDH1A1 (0.35) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL8057982 | 0.74 | KDM4E (0.35) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL8062914 | 0.73 | ALDH1A1 (0.41) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL8060746 | 0.73 | CA12 (0.40) | ALDH1A1KDM4EHSD17B10MAPTHPGD |
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 |