Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | C5AR1 | P21730 | 4/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL12366461 | 0.93 | CMA1 (0.35) | GAARXRANR1H2NR1H3C5AR1 | |
| SCHEMBL12366281 | 0.93 | MDM2 (0.40) | GAAALDH1A1KDM4EATMNPSR1 | |
| SCHEMBL12366463 | 0.92 | RXRA (0.36) | ALDH1A1KDM4ELMNARXRANR1H2 | |
| SCHEMBL12366323 | 0.92 | NR1H2 (0.39) | GAARXRANR1H2NR1H3MDM2 | |
| SCHEMBL12366218 | 0.92 | ALDH1A1 (0.41) | GAAALDH1A1KDM4EATMNPSR1 | |
| SCHEMBL12366328 | 0.91 | NR1H2 (0.41) | ALDH1A1KDM4ELMNARXRANR1H2 | |
| SCHEMBL12366339 | 0.90 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNARXRANR1H2 | |
| SCHEMBL12366467 | 0.90 | RXRA (0.37) | RXRANR1H2NR1H3C5AR1MDM2 | |
| SCHEMBL12366504 | 0.89 | MCL1 (0.37) | GAAALDH1A1NPSR1RXRANR1H2 | |
| SCHEMBL12366413 | 0.88 | NR1H2 (0.36) | ALDH1A1KDM4ENPSR1LMNARXRA |
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 |