Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12366323 | 0.93 | NR1H2 (0.39) | NR1H2NR1H3RXRAMAPTGAA | |
| SCHEMBL12366818 | 0.93 | NR1H2 (0.49) | NR1H2NR1H3RXRACNR1LMNA | |
| SCHEMBL12366484 | 0.92 | NR1H2 (0.35) | NR1H2NR1H3RXRACNR1LMNA | |
| SCHEMBL12366437 | 0.92 | RXRA (0.38) | NR1H2NR1H3RXRACNR1LMNA | |
| SCHEMBL12366796 | 0.91 | NR1H2 (0.38) | NR1H2NR1H3RXRACNR1GRIN2B | |
| SCHEMBL12366218 | 0.90 | ALDH1A1 (0.41) | NR1H2NR1H3RXRACNR1LMNA | |
| SCHEMBL12366774 | 0.90 | NR1H2 (0.37) | NR1H2NR1H3RXRAMAPTDDR1 | |
| SCHEMBL12366391 | 0.90 | KDM4E (0.43) | NR1H2NR1H3RXRACNR1KDM4E | |
| SCHEMBL12366879 | 0.90 | NR1H2 (0.37) | NR1H2NR1H3RXRAMAPTDDR1 | |
| SCHEMBL12366776 | 0.89 | ALDH1A1 (0.38) | NR1H2NR1H3RXRALMNAHTT |
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 |