Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29742208 | 0.79 | BACE1 (0.45) | NPBWR1CCNCCDK8KDM4EALDH1A1 | |
| SCHEMBL23935164 | 0.79 | BACE1 (0.45) | NPBWR1CCNCCDK8KDM4EALDH1A1 | |
| SCHEMBL9161172 | 0.78 | ALDH1A1 (0.52) | ESR1FABP4FABP5KDM4EALDH1A1 | |
| SCHEMBL9162858 | 0.78 | ABCG2 (0.43) | ESR1TACR1DHODHABCG2MEN1 | |
| SCHEMBL29712652 | 0.77 | GRM5 (0.46) | ESR1KDM4EALDH1A1MAPT | |
| SCHEMBL28328975 | 0.77 | GRM5 (0.46) | ESR1KDM4EALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL2249468 | 0.77 | ALDH1A1 (0.51) | ESR1FABP4FABP5KDM4EALDH1A1 | |
| SCHEMBL18057691 | 0.76 | NCF1 (0.47) | ESR1ADORA2AKCNH2KDM4EMEN1 | |
| SCHEMBL23747858 | 0.75 | NR1H2 (0.41) | ESR1NPBWR1TACR1FABP4FABP5 | |
| SCHEMBL9159524 | 0.74 | DHODH (0.41) | METDHODHABCG2ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0354994-B1 | Quinoline derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-01-25 | — | — | EP | disclosed |
| US-5254565-A | Enzyme inhibitors; anticholesterol agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-19 | — | — | US | disclosed |
| EP-0354994-A2 | Quinoline derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-02-21 | — | — | EP | disclosed |