Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.52 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DDX3X | O00571 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL38661613 | 0.85 | GAA (0.48) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL1534089 | 0.84 | NPC1 (0.58) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL38664167 | 0.84 | HDAC1 (0.47) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL6824411 | 0.83 | PDK1 (0.59) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL13497754 | 0.82 | LMNA (0.40) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL27428457 | 0.80 | PDK1 (0.49) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL11245698 | 0.78 | PDK1 (0.61) | PDK1PDK2PDK3PDK4NPC1 | |
| O-Tolylamine SCHEMBL19586028 | 0.77 | NPC1 (0.49) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL292651 | 0.77 | MAPT (0.43) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL397003 | 0.76 | PDK1 (0.67) | PDK1PDK2PDK3PDK4NPC1 |
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-2004022534-A1 | ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |