Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PARG | Q86W56 | 2/20 | 0.35 |
| ▸ | GNRHR | P30968 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12366246 | 0.93 | GAA (0.39) | MDM2C5AR1TDP1ALDH1A1GAA | |
| SCHEMBL12366328 | 0.92 | NR1H2 (0.41) | MDM2ALDH1A1RXRANR1H2NR1H3 | |
| SCHEMBL12366339 | 0.91 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19RXRA | |
| SCHEMBL12366467 | 0.91 | RXRA (0.37) | MDM2C5AR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12366504 | 0.90 | MCL1 (0.37) | MDM2ALDH1A1GAARXRANR1H2 | |
| SCHEMBL12366461 | 0.90 | CMA1 (0.35) | MDM2C5AR1GAACYP3A4CYP2C9 | |
| SCHEMBL12366272 | 0.89 | RXRA (0.42) | C5AR1TDP1ALDH1A1GAARXRA | |
| SCHEMBL12366466 | 0.89 | RXRA (0.38) | MDM2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12366463 | 0.89 | RXRA (0.36) | ALDH1A1CYP3A4CYP2C9CYP2C19RXRA | |
| SCHEMBL12366323 | 0.89 | NR1H2 (0.39) | MDM2GAACYP3A4CYP2C9CYP2C19 |
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 |