Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056454 | 0.84 | CHRM3 (0.33) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8058180 | 0.80 | CA1 (0.42) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8063021 | 0.78 | LMNA (0.40) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8063058 | 0.77 | MAPT (0.39) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8060691 | 0.76 | LMNA (0.51) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8060713 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8045290 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8057154 | 0.75 | KDM4E (0.35) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8057982 | 0.75 | KDM4E (0.35) | ALDH1A1KDM4EGAAMAPTGLA | |
| SCHEMBL8062974 | 0.74 | CA2 (0.37) | ALDH1A1KDM4EGAAMAPTGLA |
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 |