Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.44 |
| ▸ | LOX | P28300 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | RARG | P13631 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RARA | P10276 | 2/20 | 0.40 |
| ▸ | RXRA | P19793 | 5/20 | 0.40 |
| ▸ | RXRB | P28702 | 5/20 | 0.40 |
| ▸ | RXRG | P48443 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062898 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP26A1PDK2CA12CA1 | |
| SCHEMBL8045223 | 0.81 | RXRA (0.38) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL2788640 | 0.79 | CYP3A4 (0.70) | CYP3A4CYP26A1RARBRARGALDH1A1 | |
| SCHEMBL8056289 | 0.78 | ALDH1A1 (0.46) | CYP3A4CYP26A1PDK2CA12CA1 | |
| SCHEMBL8058029 | 0.77 | PDK2 (0.42) | CYP3A4PDK2CA12CA1CA2 | |
| SCHEMBL8057407 | 0.76 | PDK2 (0.41) | CYP3A4PDK2CA12CA1CA2 | |
| SCHEMBL21186601 | 0.76 | PDK2 (0.44) | CYP3A4CYP26A1PDK2CA12CA1 | |
| SCHEMBL8060825 | 0.76 | PDK2 (0.41) | CYP3A4PDK2CA12CA1CA2 | |
| SCHEMBL8060786 | 0.76 | CA1 (0.46) | PDK2CA12CA1CA2CA7 | |
| SCHEMBL8045035 | 0.76 | RXRA (0.40) | CYP3A4CYP26A1LOXRARBRARG |
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 |