Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | PREP | P48147 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21455385 | 0.72 | CA12 (0.49) | CA12CA1CA9PREP | |
| SCHEMBL5795754 | 0.70 | MAOA (0.33) | — | |
| SCHEMBL245146 | 0.69 | CA12 (0.40) | CA12CA1CA9PREP | |
| SCHEMBL1984913 | 0.65 | CA1 (0.35) | CA12CA1CA9PREP | |
| SCHEMBL16593838 | 0.64 | PTK2 (0.39) | PREP | |
| SCHEMBL8938839 | 0.62 | PTGS2 (0.36) | CA12CA1CA9PREP | |
| SCHEMBL30556213 | 0.62 | CA1 (0.38) | CA12CA1CA9PREPDRD2 | |
| SCHEMBL22079572 | 0.62 | CA12 (0.48) | CA12CA1CA9PREP | |
| SCHEMBL8577259 | 0.61 | KDM4E (0.39) | CA12CA1CA9PREP | |
| SCHEMBL9687075 | 0.61 | ALDH1A1 (0.37) | CA12CA1CA9DRD2 |
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-1163214-A1 | GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 | Merck Frosst Canada & Co. (CA) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000055127-A1 | GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 | MERCK FROSST CANADA & CO. (CA) | 2000-09-21 | — | — | WO | disclosed |