Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23564738 | 0.81 | EPHX2 (0.57) | EPHX2NR1H4CA12CA1CA2 | |
| SCHEMBL31248368 | 0.81 | EPHX2 (0.57) | EPHX2NR1H4CA12CA1CA2 | |
| SCHEMBL12366117 | 0.81 | HDAC1 (0.56) | EPHX2CA12CA1CA2CA7 | |
| SCHEMBL934006 | 0.81 | EPHX2 (0.60) | EPHX2NR1H4CA12CA1CA2 | |
| SCHEMBL19212325 | 0.81 | EPHX2 (0.57) | EPHX2NR1H4CA12CA1CA2 | |
| SCHEMBL12366188 | 0.79 | LMNA (0.47) | CA12CA1CA2CA7SMN1; SMN2 | |
| SCHEMBL12366135 | 0.79 | LMNA (0.62) | CA12CA1CA2PLA2G1BSMN1; SMN2 | |
| SCHEMBL6635990 | 0.79 | EPHX2 (0.61) | EPHX2NR1H4CA12CA1CA2 | |
| SCHEMBL933617 | 0.78 | EPHX2 (0.58) | EPHX2NR1H4CA12CA1CA2 | |
| SCHEMBL12366144 | 0.78 | HPGD (0.54) | EPHX2CYP3A4PPARAPPARGSMN1; SMN2 |
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-7998986-B2 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | EXELIXIS PATENT COMPANY LLC (US) | 2011-08-16 | — | — | US | disclosed |