Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.44 |
| ▸ | RARG | P13631 | 4/20 | 0.44 |
| ▸ | RARA | P10276 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8045123 | 0.81 | KDM4E (0.33) | RARBRARGRARAALDH1A1KDM4E | |
| SCHEMBL8062990 | 0.79 | HTR7 (0.43) | — | |
| SCHEMBL8056978 | 0.76 | RXRA (0.34) | RARBRARGRARAALDH1A1KDM4E | |
| SCHEMBL8062898 | 0.72 | CYP3A4 (0.44) | RARBRARGRARACYP3A4PDK2 | |
| SCHEMBL21186601 | 0.72 | PDK2 (0.44) | CYP3A4PDK2CA12CA1CA2 | |
| SCHEMBL8060749 | 0.71 | CA1 (0.42) | PDK2CA12CA1CA2CA7 | |
| SCHEMBL2788640 | 0.71 | CYP3A4 (0.70) | RARBRARGRARACYP3A4ALDH1A1 | |
| SCHEMBL8056514 | 0.71 | NPC1 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8056181 | 0.70 | ALDH1A1 (0.44) | PDK2CA12CA1CA2CA7 | |
| SCHEMBL8056479 | 0.70 | CYP3A4 (0.48) | RARBRARGRARACYP3A4PDK2 |
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 |