Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.53 |
| ▸ | PDK1 | Q15118 | 10/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 10/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 10/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 10/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1555152 | 0.88 | GAA (0.54) | CETPPDK1PDK2PDK3PDK4 | |
| SCHEMBL19280535 | 0.88 | PDK1 (0.68) | CETPPDK1PDK2PDK3PDK4 | |
| SCHEMBL18458382 | 0.86 | PDK1 (0.68) | PDK1PDK2PDK3PDK4SMN1; SMN2 | |
| SCHEMBL5706504 | 0.84 | CETP (0.71) | CETPPDK1PDK2PDK3PDK4 | |
| SCHEMBL7421740 | 0.82 | PDK1 (0.68) | PDK1PDK2PDK3PDK4SMN1; SMN2 | |
| SCHEMBL436619 | 0.80 | PDK1 (0.61) | PDK1PDK2PDK3PDK4SMN1; SMN2 | |
| SCHEMBL8032793 | 0.80 | CETP (0.52) | CETPPDK1PDK2PDK3PDK4 | |
| SCHEMBL30797039 | 0.79 | PDK1 (0.50) | CETPPDK1PDK2PDK3PDK4 | |
| SCHEMBL4675699 | 0.79 | PDK1 (0.50) | CETPPDK1PDK2PDK3PDK4 | |
| SCHEMBL24251779 | 0.78 | BLM (0.42) | CETPPDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6127536-A | Synthesis of a tetraamido macrocycle ligand | THE CLOROX COMPANY (US) | 2000-10-03 | — | — | US | disclosed |