Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL312535 | 0.84 | CES2 (0.47) | CYP1A2CES2CES1NPC1LMNA | |
| SCHEMBL1361469 | 0.80 | CYP4F2 (0.50) | CYP1A2CYP4F2CYP4A11TNFALDH1A1 | |
| SCHEMBL1958113 | 0.79 | TSHR (0.57) | CES2CES1LMNATSHRHSD17B10 | |
| SCHEMBL8585798 | 0.78 | CYP4F2 (0.57) | CYP1A2CYP4F2CYP4A11NPC1L3MBTL1 | |
| SCHEMBL6623875 | 0.77 | CES2 (0.53) | CYP1A2CES2CES1NPC1LMNA | |
| SCHEMBL29775615 | 0.76 | CES2 (0.44) | CYP1A2CES2CES1NPC1LMNA | |
| SCHEMBL21047313 | 0.76 | CES2 (0.44) | CYP1A2CES2CES1NPC1LMNA | |
| SCHEMBL2743554 | 0.75 | NPC1 (0.68) | CYP1A2NPC1LMNAL3MBTL1TSHR | |
| SCHEMBL7860050 | 0.75 | CYP4F2 (0.54) | CYP1A2CYP4F2CYP4A11LMNAALDH1A1 | |
| SCHEMBL2373430 | 0.75 | CES2 (0.59) | CES2CES1L3MBTL1TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101312972-B | Bicyclic cinnamide compound | EISAI R&D MAN CO LTD | 2012-06-20 | — | — | CN | disclosed |
| CN-101312972-A | Bicyclic cinnamide compound | EISAI R&D MAN CO LTD (JP) | 2008-11-26 | — | — | CN | disclosed |