Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 5/20 | 0.67 |
| ▸ | GABBR1 | Q9UBS5 | 5/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6281278 | 1.00 | GABBR2 (0.67) | GABBR2GABBR1CYP1A2CYP2D6LMNA | |
| SCHEMBL27283801 | 0.89 | GABBR2 (0.62) | GABBR2GABBR1CYP1A2CYP2D6LMNA | |
| SCHEMBL14360103 | 0.88 | GABBR2 (0.53) | GABBR2GABBR1CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL9705781 | 0.87 | GABBR2 (0.61) | GABBR2GABBR1CYP1A2CYP2D6LMNA | |
| SCHEMBL14360050 | 0.86 | GABBR2 (0.52) | GABBR2GABBR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL12027607 | 0.84 | GABBR2 (0.70) | GABBR2GABBR1CYP1A2CYP2D6LMNA | |
| SCHEMBL723612 | 0.84 | GABBR2 (0.70) | GABBR2GABBR1CYP1A2CYP2D6LMNA | |
| SCHEMBL1859835 | 0.82 | GABBR2 (0.48) | GABBR2GABBR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2878463 | 0.82 | GABBR2 (0.63) | GABBR2GABBR1CYP1A2CYP2D6LMNA | |
| SCHEMBL3056333 | 0.81 | GABBR2 (0.47) | GABBR2GABBR1CYP1A2CYP2D6LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |