Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8044548 | 0.94 | ALDH1A1 (0.32) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL624529 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL8062479 | 0.92 | ALDH1A1 (0.32) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL8062420 | 0.89 | CXCR4 (0.30) | ALDH1A1 | |
| SCHEMBL8062647 | 0.85 | ALDH1A1 (0.32) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL8056850 | 0.83 | ALDH1A1 (0.33) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL2636024 | 0.82 | — | — | |
| SCHEMBL8044726 | 0.82 | ALDH1A1 (0.32) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL3111009 | 0.81 | TSHR (0.32) | ALDH1A1CYP2D6CYP1A2HSD17B10CYP3A4 | |
| SCHEMBL8060419 | 0.80 | CXCR4 (0.30) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |