Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 6/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL40979 | 0.85 | CASP6 (0.64) | PDK1CASP6LMNATSHRHCAR3 | |
| SCHEMBL7510384 | 0.84 | PARP1 (0.59) | PDK1CASP6LMNATSHRPARP1 | |
| SCHEMBL28269442 | 0.84 | PDK1 (0.52) | PDK1CASP6CYP1A2VCAM1LMNA | |
| SCHEMBL1018568 | 0.80 | VCAM1 (0.58) | PDK1VCAM1LMNA | |
| SCHEMBL11321021 | 0.80 | PDK1 (0.49) | PDK1CYP1A2LMNATSHRHCAR3 | |
| SCHEMBL11321018 | 0.80 | PDK1 (0.46) | PDK1CASP6LMNAPARP1HCAR3 | |
| SCHEMBL13816452 | 0.78 | PDK1 (0.50) | PDK1CYP1A2LMNAHCAR3 | |
| SCHEMBL4262486 | 0.78 | KMT2A (0.61) | PDK1LMNA | |
| SCHEMBL6953347 | 0.77 | PDK1 (0.46) | PDK1VCAM1LMNATSHR | |
| Isothiocyanate SCHEMBL27833109 | 0.77 | VCAM1 (0.54) | PDK1CASP6VCAM1LMNAHCAR3 |
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-2002020630-A1 | PROCESS FOR THE PREPARATION OF GLYCEROL-BASED CROSSLINKED POLYMERIC GELS | LIPAL BIOCHEMICALS (CH) | 2002-03-14 | — | — | WO | disclosed |