Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 10/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 10/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL3661241 | 0.83 | PTGS2 (0.46) | DHODHALDH1A1CYP1A2CYP3A4IKBKB | |
| SCHEMBL4369739 | 0.79 | MKNK1 (0.61) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL30338756 | 0.78 | MKNK1 (0.59) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL6026 | 0.74 | MKNK1 (0.55) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL3057993 | 0.74 | MKNK1 (0.50) | MKNK1MKNK2ALDH1A1CYP17A1 | |
| SCHEMBL2927032 | 0.72 | TSHR (0.48) | ALDH1A1CYP1A2 | |
| SCHEMBL2771881 | 0.72 | TSHR (0.48) | ALDH1A1CYP1A2 | |
| SCHEMBL606654 | 0.72 | MKNK1 (1.00) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL30855339 | 0.72 | MKNK1 (1.00) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL25279495 | 0.71 | PSEN1 (0.59) | MKNK1MKNK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225196-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | Merck Frosst Canada Ltd. (CA) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009067797-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | MERCK FROSST CANADA LTD. (CA) | 2009-06-04 | — | — | WO | disclosed |