Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3140559 | 0.87 | CYP2D6 (0.42) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 | |
| SCHEMBL253606 | 0.82 | CYP2C19 (0.52) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 | |
| SCHEMBL1610252 | 0.81 | CYP2C19 (0.50) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 | |
| SCHEMBL3031215 | 0.79 | TAAR1 (0.43) | GABBR2GABBR1CYP2D6SMN1; SMN2CYP1A2 | |
| SCHEMBL464510 | 0.79 | CCR5 (0.45) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 | |
| SCHEMBL4864892 | 0.79 | CCR5 (0.45) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 | |
| SCHEMBL5705436 | 0.79 | CYP2D6 (0.41) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 | |
| SCHEMBL19812664 | 0.79 | GABBR2 (0.55) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 | |
| SCHEMBL28192513 | 0.79 | GABBR2 (0.37) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 | |
| SCHEMBL11537548 | 0.79 | GABBR2 (0.37) | CYP2C19GABBR2GABBR1CYP2D6SMN1; SMN2 |
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-101395154-B | 8-azabicyclo [3.2.1] octane compounds as mu opioid receptor antagonists | THERAVANCE INC | 2011-01-19 | — | — | CN | disclosed |
| CN-101395154-A | 8-azabicyclo [3.2.1] octane compounds as mu opioid receptor antagonists | THERAVANCE INC (US) | 2009-03-25 | — | — | CN | disclosed |