Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8062713 | 0.87 | CA12 (0.41) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8062794 | 0.81 | CA1 (0.44) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8057307 | 0.81 | CHRNB2 (0.44) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8060713 | 0.80 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL16716449 | 0.80 | CHRNB2 (0.51) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8062875 | 0.78 | HTR7 (0.45) | — | |
| SCHEMBL8060718 | 0.78 | CA12 (0.44) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8060786 | 0.77 | CA1 (0.46) | ALDH1A1KDM4EHPGDMAPTCA12 | |
| SCHEMBL8045127 | 0.77 | CA1 (0.42) | ALDH1A1KDM4EHPGDMAPTCHRNB2 | |
| SCHEMBL8045315 | 0.77 | CA1 (0.42) | ALDH1A1KDM4EHPGDMAPTNPC1 |
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 |