Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL223109 | 0.77 | MAPT (0.36) | ACHEHTR2CCYP3A4HTR2AHTR2B | |
| SCHEMBL1816256 | 0.70 | CYP3A4 (0.48) | POLBSMN1; SMN2ACHEHTR2CCYP3A4 | |
| SCHEMBL6608544 | 0.67 | ACHE (0.47) | POLBSMN1; SMN2ACHEHTR2CHTR2A | |
| Hydrochloric Acid SCHEMBL6607875 | 0.66 | ACHE (0.46) | ACHEHTR2CHTR2AHTR2B | |
| SCHEMBL30331914 | 0.65 | PNMT (0.52) | POLBSMN1; SMN2HTR2CCYP3A4HTR2A | |
| SCHEMBL12822 | 0.65 | PNMT (0.52) | POLBSMN1; SMN2HTR2CCYP3A4HTR2A | |
| SCHEMBL222039 | 0.65 | PARP1 (0.37) | ACHEHTR2CCYP3A4PDCD1CD274 | |
| SCHEMBL6607314 | 0.64 | MAPT (0.56) | ACHEHTR2CCYP3A4HTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL2378664 | 0.64 | PNMT (0.50) | POLBSMN1; SMN2HTR2CCYP3A4 | |
| Hydrochloric Acid SCHEMBL6607726 | 0.64 | PNMT (0.50) | POLBSMN1; SMN2HTR2CCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121621-B1 | LXR AND FXR MODULATORS | EXELIXIS PATENT CO LLC (US) | 2014-05-07 | — | — | EP | disclosed |
| EP-2121621-A1 | LXR AND FXR MODULATORS | Exelixis, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008073825-A1 | LXR AND FXR MODULATORS | EXELIXIS, INC. (US) | 2008-06-19 | — | — | WO | disclosed |