Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
| ▸ | VNN1 | O95497 | 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 | |
|---|---|---|---|---|
| SCHEMBL20459834 | 0.80 | SMN1; SMN2 (0.33) | KDM4E | |
| SCHEMBL20459575 | 0.68 | SMN1; SMN2 (0.37) | KDM4E | |
| SCHEMBL926070 | 0.67 | KCNN4 (0.35) | VNN1 | |
| SCHEMBL20018530 | 0.67 | VNN1 (0.33) | VNN1 | |
| SCHEMBL20459545 | 0.65 | KCNN4 (0.35) | VNN1 | |
| SCHEMBL17108576 | 0.64 | VNN1 (0.34) | VNN1 | |
| SCHEMBL20459751 | 0.63 | VNN1 (0.37) | VNN1 | |
| SCHEMBL19671830 | 0.60 | ALDH1A1 (0.46) | KDM4E | |
| SCHEMBL11721973 | 0.60 | KCNN4 (0.50) | — | |
| SCHEMBL19672008 | 0.59 | KCNK2 (0.34) | VNN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900241-B1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2018-08-08 | — | — | EP | disclosed |