Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 17/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 17/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 11/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 4/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL17608988 | 0.94 | CYP2D6 (0.64) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1426231 | 0.94 | CYP2D6 (0.64) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31230958 | 0.93 | CYP2D6 (0.62) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14027002 | 0.91 | CYP2D6 (0.65) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4877899 | 0.91 | CYP2D6 (0.65) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21262272 | 0.91 | CYP2D6 (0.60) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8044838 | 0.90 | CYP2D6 (0.77) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2381460 | 0.90 | CYP2D6 (0.59) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14026999 | 0.89 | CYP2D6 (0.63) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8060461 | 0.89 | CYP2D6 (0.67) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 |
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-1061076-A1 | N-ACYL CYCLIC AMINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-12-20 | — | — | EP | disclosed |
| US-6140333-A | FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-10-31 | — | — | US | disclosed |