Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056774 | 0.93 | CYP2D6 (0.33) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL8057798 | 0.88 | ALDH1A1 (0.33) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL625038 | 0.88 | CYP2D6 (0.38) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL8062479 | 0.87 | ALDH1A1 (0.32) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL25447178 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL16877454 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL16877522 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL8044802 | 0.82 | ALDH1A1 (0.34) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL17797618 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL8044558 | 0.80 | ALDH1A1 (0.33) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 |
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 |