Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.33 |
| ▸ | CTRC | Q99895 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL15896713 | 0.89 | NQO2 (0.34) | CTRC | |
| SCHEMBL8405560 | 0.82 | ITGB2 (0.36) | — | |
| SCHEMBL13082449 | 0.77 | CTRC (0.38) | CTRC | |
| SCHEMBL19826858 | 0.73 | CASP3 (0.35) | MTNR1A | |
| SCHEMBL6127806 | 0.71 | NQO2 (0.37) | — | |
| SCHEMBL19121120 | 0.71 | CTRC (0.31) | CTRC | |
| SCHEMBL13082261 | 0.71 | HTR2C (0.37) | CTRC | |
| SCHEMBL12599573 | 0.70 | TSHR (0.49) | — | |
| SCHEMBL25531151 | 0.70 | LMNA (0.35) | — | |
| SCHEMBL18862586 | 0.70 | ALDH1A1 (0.32) | — |
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-1373257-B9 | INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2008-10-15 | — | — | EP | disclosed |
| EP-1373257-B1 | INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2007-11-28 | — | — | EP | disclosed |