Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | MPO | P05164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5909429 | 0.85 | PARP1 (0.47) | CYP1A2CYP2D6CYP2C19PARP1HTR1A | |
| SCHEMBL30753812 | 0.80 | MPO (0.55) | HTR2AMPOSCN8A | |
| SCHEMBL2720282 | 0.80 | MPO (0.55) | HTR2AMPOSCN8A | |
| SCHEMBL23665723 | 0.79 | CA2 (0.44) | CYP1A2CYP2D6BCHEMEN1KMT2A | |
| SCHEMBL12956919 | 0.79 | PARP1 (0.43) | CYP1A2CYP2D6CYP2C19PARP1HTR1A | |
| SCHEMBL8510208 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19PARP1HTR1A | |
| SCHEMBL5352263 | 0.78 | TAAR1 (0.48) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL17710436 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19PARP1HTR1A | |
| SCHEMBL11949748 | 0.77 | CNR1 (0.42) | — | |
| SCHEMBL8046780 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011034078-A1 | GLYCINE COMPOUND | アステラス製薬株式会社 (JP) | 2011-03-24 | — | — | WO | disclosed |