Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | LYN | P07948 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 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 | |
|---|---|---|---|---|
| SCHEMBL8044558 | 0.98 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL477102 | 0.93 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL8060449 | 0.87 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL8057777 | 0.85 | ALDH1A1 (0.32) | ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL16878332 | 0.85 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL437738 | 0.83 | TSHR (0.35) | TSHR | |
| SCHEMBL17609103 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL16878154 | 0.83 | — | — | |
| SCHEMBL11013028 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL16877653 | 0.83 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10 |
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 |