Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 8/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 8/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 8/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 8/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KLK7 | P49862 | 1/20 | 0.49 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20821412 | 0.84 | PDK1 (0.50) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL1542594 | 0.84 | PDK1 (0.50) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL4344024 | 0.84 | PDK1 (0.70) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL29824473 | 0.84 | PDK1 (0.50) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL14448754 | 0.81 | PDK1 (0.51) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL28528551 | 0.80 | ALDH1A1 (0.58) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL8626954 | 0.78 | PDK1 (0.66) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL12758952 | 0.77 | PDK1 (0.44) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL1576313 | 0.76 | PDK1 (0.67) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL553679 | 0.76 | ALDH1A1 (0.57) | HTTMEN1NPC1RAB9AKMT2A |
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-5369123-A | Anticholesterol agents, treatment of atherosclerosis, antilipidemic agents and treatment of hyperlipoproteinaemia | E. R. SQUIBB & SONS, INC. (US) | 1994-11-29 | — | — | US | disclosed |