Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12361809 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL8045157 | 0.74 | ALDH1A1 (0.34) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL8058208 | 0.71 | ALDH1A1 (0.49) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL14476016 | 0.71 | LMNA (0.56) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL8058111 | 0.70 | CA1 (0.44) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL6112713 | 0.70 | ALOX5 (0.46) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL21273284 | 0.70 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL69714 | 0.70 | CA1 (0.55) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL8060782 | 0.70 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL8058184 | 0.69 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EHPGDLMNA |
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 |