Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8747987 | 0.93 | DAO (0.36) | PTGS2CYP3A4DAOOPRM1ITGB3 | |
| SCHEMBL8748009 | 0.92 | DAO (0.35) | PTGS2CYP3A4DAOOPRM1ITGB3 | |
| SCHEMBL8748047 | 0.92 | DAO (0.35) | PTGS2CYP3A4DAOOPRM1ITGB3 | |
| SCHEMBL8748183 | 0.88 | CYP1A2 (0.37) | PTGS2CYP3A4DAOGPR84HTR2A | |
| SCHEMBL7767955 | 0.86 | DAO (0.32) | DAOITGB3ITGA2B | |
| SCHEMBL7767958 | 0.86 | DAO (0.32) | DAOITGB3ITGA2B | |
| SCHEMBL7767953 | 0.86 | DAO (0.32) | DAOITGB3ITGA2B | |
| SCHEMBL7762339 | 0.85 | DAO (0.32) | DAO | |
| SCHEMBL7762336 | 0.85 | DAO (0.32) | DAO | |
| SCHEMBL7762341 | 0.85 | DAO (0.32) | DAO |
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 |
|---|---|---|---|---|---|---|---|
| EP-2123623-A1 | LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2009-11-25 | — | — | EP | disclosed |