Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 4/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.33 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.33 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12366413 | 0.93 | NR1H2 (0.36) | KDM4EALDH1A1HPGDNPSR1L3MBTL1 | |
| SCHEMBL12366339 | 0.90 | ALDH1A1 (0.42) | KDM4EALDH1A1NR1H2NR1H3RXRA | |
| SCHEMBL12366427 | 0.89 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDNPSR1L3MBTL1 | |
| SCHEMBL12366342 | 0.88 | TP53 (0.41) | KDM4EALDH1A1HPGDNPSR1MDM2 | |
| SCHEMBL12366323 | 0.86 | NR1H2 (0.39) | NR1H2NR1H3RXRAMDM2P2RX7 | |
| SCHEMBL12366407 | 0.86 | NR1H2 (0.40) | NR1H2NR1H3RXRAMDM2LMNA | |
| SCHEMBL12366281 | 0.85 | MDM2 (0.40) | KDM4EALDH1A1NPSR1C5AR1NR1H2 | |
| SCHEMBL12366463 | 0.84 | RXRA (0.36) | KDM4EALDH1A1HPGDNR1H2NR1H3 | |
| SCHEMBL12366246 | 0.84 | GAA (0.39) | KDM4EALDH1A1NPSR1L3MBTL1C5AR1 | |
| SCHEMBL12366250 | 0.84 | MAPT (0.40) | MDM2MAPT |
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 |