Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SLC16A3 | O15427 | 3/20 | 0.41 |
| ▸ | SLC16A1 | P53985 | 3/20 | 0.41 |
| ▸ | MCTS1 | Q9ULC4 | 3/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12366281 | 0.91 | MDM2 (0.40) | ALDH1A1KDM4ENR1H2NR1H3RXRA | |
| SCHEMBL12366459 | 0.90 | KDM4E (0.43) | ALDH1A1MAPTKDM4ESLC16A3SLC16A1 | |
| SCHEMBL12366246 | 0.90 | GAA (0.39) | ALDH1A1KDM4ENR1H2NR1H3LMNA | |
| SCHEMBL12366315 | 0.90 | ALDH1A1 (0.48) | ALDH1A1MAPTKDM4ESLC16A3SLC16A1 | |
| SCHEMBL12366328 | 0.89 | NR1H2 (0.41) | ALDH1A1MAPTKDM4ENR1H2NR1H3 | |
| SCHEMBL12366467 | 0.88 | RXRA (0.37) | SLC16A3SLC16A1MCTS1ORAI1NR1H2 | |
| SCHEMBL12366233 | 0.88 | CNR1 (0.42) | ALDH1A1MAPTKDM4EITGB1ITGA4 | |
| SCHEMBL12366504 | 0.87 | MCL1 (0.37) | ALDH1A1NR1H2NR1H3RXRAKMT2A | |
| SCHEMBL12366461 | 0.87 | CMA1 (0.35) | NR1H2NR1H3RXRACYP3A4CYP2C9 | |
| SCHEMBL12366413 | 0.87 | NR1H2 (0.36) | ALDH1A1MAPTKDM4ENR1H2NR1H3 |
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 |