Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | YAP1 | P46937 | 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 | |
|---|---|---|---|---|
| SCHEMBL2184862 | 0.92 | PDE4B (0.56) | PDE4BUSP30MEN1KMT2ACTSK | |
| SCHEMBL2182558 | 0.92 | PDE4B (0.56) | PDE4BUSP30MEN1KMT2ACTSK | |
| SCHEMBL12426650 | 0.92 | PDE4B (0.56) | PDE4BUSP30MEN1KMT2ACTSK | |
| SCHEMBL20479379 | 0.88 | PDE4B (0.55) | PDE4BUSP30CPB1MEN1KMT2A | |
| SCHEMBL20479380 | 0.88 | PDE4B (0.55) | PDE4BUSP30CPB1MEN1KMT2A | |
| SCHEMBL7819505 | 0.87 | PDE4B (0.48) | PDE4BUSP30BACE1CPB1MEN1 | |
| SCHEMBL10239796 | 0.87 | PDE4B (0.50) | PDE4BUSP30BACE1CPB1MEN1 | |
| SCHEMBL20974109 | 0.86 | PDE4B (0.49) | PDE4BUSP30CPB1MEN1KMT2A | |
| SCHEMBL19064067 | 0.86 | CTSK (0.56) | PDE4BUSP30BACE1CPB1MEN1 | |
| SCHEMBL20479857 | 0.86 | PDE4B (0.49) | PDE4BUSP30CPB1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2435037-B1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-12 | — | — | EP | disclosed |
| WO-2010138338-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-12-02 | — | — | WO | disclosed |