Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA7 | P43166 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL9301557 | 0.82 | ESR1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10026218 | 0.79 | CA12 (0.53) | KDM4ECA12CA1CA2CA7 | |
| SCHEMBL30740886 | 0.76 | KDM4E (0.57) | KDM4ECA12CA1CA2CA7 | |
| SCHEMBL2926113 | 0.73 | EGFR (0.51) | KDM4ECA12CA1CA2CA7 | |
| SCHEMBL363156 | 0.73 | CA1 (0.64) | KDM4ECA12CA1CA2CA7 | |
| SCHEMBL30371904 | 0.73 | CA1 (0.64) | KDM4ECA12CA1CA2CA7 | |
| SCHEMBL10322828 | 0.73 | KDM4E (0.49) | KDM4ECA12CA1CA2CA7 | |
| SCHEMBL25408632 | 0.72 | MAPT (0.46) | KDM4ECA12CA1CA2CA7 | |
| SCHEMBL399625 | 0.72 | CA1 (0.62) | KDM4ECA12CA1CA2CA7 | |
| SCHEMBL30863575 | 0.72 | CA1 (0.62) | KDM4ECA12CA1CA2CA7 |
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-5308852-A | Cardiovascular disorders | MERCK FROSST CANADA, INC. (CA) | 1994-05-03 | — | — | US | disclosed |
| EP-0579304-A1 | Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA INC. (CA) | 1994-01-19 | — | — | EP | disclosed |
| WO-1994000444-A1 | HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1994-01-06 | — | — | WO | disclosed |