Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056464 | 0.85 | HPGD (0.42) | ALDH1A1HPGDKMT2AMAPTMEN1 | |
| SCHEMBL8045188 | 0.81 | EGFR (0.51) | ALDH1A1HPGDKMT2AMAPTMEN1 | |
| SCHEMBL8062754 | 0.80 | SLC9A1 (0.38) | — | |
| SCHEMBL8058137 | 0.79 | ALDH1A1 (0.36) | ALDH1A1HPGDKMT2AMAPTGAA | |
| SCHEMBL12165945 | 0.75 | GABRA1 (0.47) | ALDH1A1HPGDKMT2AMAPTMEN1 | |
| SCHEMBL12165908 | 0.74 | KDM4E (0.50) | ALDH1A1HPGDKMT2AMAPTMEN1 | |
| SCHEMBL8608965 | 0.71 | PTGS2 (0.47) | ALDH1A1HPGDKMT2AMAPTMEN1 | |
| SCHEMBL8057996 | 0.71 | ALDH1A1 (0.37) | ALDH1A1HPGDKMT2AMAPTMEN1 | |
| SCHEMBL8611218 | 0.70 | CA2 (0.54) | ALDH1A1HPGDKMT2AMAPTMEN1 | |
| SCHEMBL38659968 | 0.70 | SLC6A3 (0.46) | ALDH1A1HPGDKMT2AMAPTGAA |
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 |