Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.56 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.56 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | SCN1A | P35498 | 1/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL397003 | 0.79 | PDK1 (0.67) | PDK1PDK2PDK3PDK4RAB9A | |
| Quatacaine SCHEMBL1340190 | 0.78 | PDK1 (0.54) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL6349201 | 0.78 | PDK1 (0.70) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL22417605 | 0.77 | PDK1 (0.56) | PDK1PDK2PDK3PDK4RAB9A | |
| Quatacaine SCHEMBL9090398 | 0.77 | HPGD (0.55) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL8347800 | 0.76 | PDK1 (0.63) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL26623837 | 0.76 | PDK1 (0.73) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL11173223 | 0.75 | PDK1 (0.61) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL11245698 | 0.75 | PDK1 (0.61) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL11174745 | 0.74 | RAB9A (0.53) | PDK1PDK2PDK3PDK4RAB9A |
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-2292596-A2 | CETP activity inhibitor | Japan Tobacco, Inc. (JP) | 2011-03-09 | — | — | EP | disclosed |