Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733588 | 0.86 | MAPT (0.45) | MAPK1L3MBTL1POLBRARBGAA | |
| SCHEMBL10555616 | 0.84 | MAPT (0.49) | MAPK1L3MBTL1POLBTDP1RARB | |
| SCHEMBL10557960 | 0.82 | ALDH1A1 (0.54) | MAPK1TSHRPLA2G4BALDH1A1MAPT | |
| SCHEMBL10353455 | 0.79 | HDAC3 (0.49) | L3MBTL1ALDH1A1MMP9MAPT | |
| SCHEMBL10456769 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MMP9 | |
| SCHEMBL8213432 | 0.79 | ALDH1A1 (0.54) | POLBTDP1ALDH1A1MAPTHTT | |
| SCHEMBL10561154 | 0.78 | CYP19A1 (0.46) | MAPK1POLBTDP1GAATSHR | |
| SCHEMBL8787577 | 0.78 | L3MBTL1 (0.49) | MAPK1L3MBTL1RARBGAATP53 | |
| SCHEMBL6803381 | 0.77 | MAOB (0.61) | L3MBTL1PLA2G4BALDH1A1HTT | |
| SCHEMBL9733516 | 0.77 | L3MBTL1 (0.47) | MAPK1L3MBTL1RARBGAATP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-4857659-A | Stereoselective synthesis of leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1989-08-15 | — | — | US | disclosed |
| EP-0244164-A1 | Stereoselective synthesis of leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1987-11-04 | — | — | EP | disclosed |
| EP-0236618-A2 | Insecticidal N'-substituted-N,N'-diacylhydrazines | ROHM AND HAAS COMPANY (US) | 1987-09-16 | — | — | EP | disclosed |