Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11996677 | 0.79 | CA12 (0.41) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL2274010 | 0.79 | CA12 (0.41) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL11994469 | 0.76 | CA12 (0.38) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL28792402 | 0.71 | CA12 (0.42) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL7066401 | 0.69 | CA12 (0.41) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL12374262 | 0.68 | CCNE1 (0.33) | CA12CA1CA2CA9 | |
| SCHEMBL15105004 | 0.64 | CA12 (0.59) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL3058623 | 0.64 | CA12 (0.40) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL4789303 | 0.63 | ALDH1A1 (0.43) | CA12CA1CA2CA9 | |
| SCHEMBL4670546 | 0.62 | CA12 (0.65) | CA12CA1CA2CA9HRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009105500-A1 | COMPOUNDS THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2009-08-27 | — | — | WO | disclosed |