Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062898 | 0.85 | CYP3A4 (0.44) | PDK2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8056289 | 0.84 | ALDH1A1 (0.46) | PDK2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8060825 | 0.82 | PDK2 (0.41) | PDK2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8057407 | 0.82 | PDK2 (0.41) | PDK2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8058171 | 0.80 | PDK2 (0.40) | PDK2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8056348 | 0.80 | HTR7 (0.42) | — | |
| SCHEMBL8045253 | 0.78 | ALDH1A1 (0.43) | PDK2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8056997 | 0.77 | CA12 (0.41) | PDK2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8056479 | 0.77 | CYP3A4 (0.48) | PDK2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8062982 | 0.76 | ALDH1A1 (0.34) | ALDH1A1KDM4EMAPTHPGDHSD17B10 |
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 |