Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.64 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.61 |
| ▸ | CDK8 | P49336 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CFD | P00746 | 1/20 | 0.56 |
| ▸ | F2R | P25116 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | KMO | O15229 | 1/20 | 0.55 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.54 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.54 |
| ▸ | FEN1 | P39748 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.52 |
| ▸ | CDK4 | P11802 | 1/20 | 0.52 |
| ▸ | CCND1 | P24385 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13702254 | 0.92 | NR1H4 (0.60) | HDAC8NR1H4EPHX2CDK8HPGD | |
| SCHEMBL13702385 | 0.89 | MEN1 (0.61) | HDAC8NR1H4EPHX2CDK8HPGD | |
| SCHEMBL13626335 | 0.87 | AURKA (0.64) | HDAC8NR1H4EPHX2CDK8HPGD | |
| SCHEMBL1927120 | 0.87 | L3MBTL1 (0.67) | HDAC8NR1H4EPHX2HPGDSMN1; SMN2 | |
| SCHEMBL13702348 | 0.87 | CDK8 (0.56) | HDAC8NR1H4EPHX2CDK8HPGD | |
| SCHEMBL13702256 | 0.87 | CDK8 (0.56) | HDAC8NR1H4EPHX2CDK8HPGD | |
| SCHEMBL13702395 | 0.86 | AOC3 (0.54) | HDAC8NR1H4EPHX2CDK8HPGD | |
| SCHEMBL13702344 | 0.86 | AOC3 (0.54) | HDAC8NR1H4EPHX2CDK8HPGD | |
| SCHEMBL27934347 | 0.85 | GAA (0.61) | NR1H4EPHX2HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL13702381 | 0.85 | PLAU (0.56) | CDK8HPGDSMN1; SMN2KDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121621-A1 | LXR AND FXR MODULATORS | Exelixis, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-7576117-B1 | Cyclic amine CCR3 antagonist | TEIJIN LIMITED (JP) | 2009-08-18 | — | — | US | disclosed |
| US-7576117-B1 | Cyclic amine CCR3 antagonist | TEIJIN LIMITED (JP) | 2009-08-18 | — | — | US | disclosed |
| WO-2008073825-A1 | LXR AND FXR MODULATORS | EXELIXIS, INC. (US) | 2008-06-19 | — | — | WO | disclosed |