Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6287509 | 0.86 | CES2 (0.52) | ALDH1A1HTTCA1CA2TDP1 | |
| SCHEMBL1373036 | 0.86 | TDP1 (0.49) | ALDH1A1CA1CA2TDP1CYP1A2 | |
| SCHEMBL9734549 | 0.85 | CA1 (0.48) | ALDH1A1CA1CA2TDP1CYP1A2 | |
| SCHEMBL8213432 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HTTCA1CA2TDP1 | |
| SCHEMBL9780181 | 0.83 | KCNA5 (0.38) | ALDH1A1HTTTDP1CYP1A2MEN1 | |
| SCHEMBL8535929 | 0.83 | KCNA5 (0.49) | ALDH1A1TDP1MEN1KMT2ALMNA | |
| SCHEMBL1108991 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HTTCA1CA2TDP1 | |
| SCHEMBL10696373 | 0.81 | CES2 (0.54) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL9733588 | 0.81 | MAPT (0.45) | HTTSLC2A1MEN1KMT2ALMNA | |
| SCHEMBL2423154 | 0.81 | CES2 (0.53) | ALDH1A1HTTCA1CA2TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5135940-A | Antiallegens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1992-08-04 | — | — | US | disclosed |
| EP-0252639-A1 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1988-01-13 | — | — | EP | disclosed |
| EP-0104885-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1986-06-04 | — | — | EP | disclosed |
| EP-0156233-A2 | Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions | MERCK & CO. INC. (US) | 1985-10-02 | — | — | EP | disclosed |
| EP-0104885-A1 | Leukotriene antagonists, their production, and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-04-04 | — | — | EP | disclosed |