Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19335895 | 0.94 | TAAR1 (0.48) | TAAR1CYP1A2CYP2A6HTR2AHTR2C | |
| SCHEMBL12011029 | 0.93 | TAAR1 (0.44) | TAAR1CYP1A2CYP2A6HTR2AHTR2C | |
| SCHEMBL18890829 | 0.91 | TAAR1 (0.45) | TAAR1CYP1A2CYP2A6HTR2AHTR2C | |
| SCHEMBL21387161 | 0.89 | TAAR1 (0.41) | TAAR1FFAR1FFAR4PTGS1PTGS2 | |
| SCHEMBL21539149 | 0.85 | TAAR1 (0.40) | TAAR1CYP1A2CYP2A6HTR2AHTR2C | |
| SCHEMBL18590775 | 0.84 | TAAR1 (0.45) | TAAR1CYP1A2CYP2A6HTR2AFFAR1 | |
| SCHEMBL12510756 | 0.84 | HTR2A (0.49) | TAAR1CYP2A6HTR2AHTR2CFFAR1 | |
| SCHEMBL19820863 | 0.82 | BACE1 (0.45) | TAAR1CYP1A2CYP2A6MAOBBACE1 | |
| SCHEMBL12740159 | 0.82 | HTR2A (0.43) | HTR2AHTR2CBACE1FFAR1FFAR4 | |
| SCHEMBL12740163 | 0.82 | FFAR4 (0.37) | HTR2AHTR2CBACE1FFAR1FFAR4 |
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-20170045765-A1 | LCD DEVICE | DIC CORPORATION (JP) | 2017-02-16 | — | — | US | disclosed |