Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PTAFR | P25105 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 4/20 | 0.37 |
| ▸ | CTSB | P07858 | 4/20 | 0.37 |
| ▸ | FES | P07332 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | MARK3 | P27448 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21553895 | 0.93 | AKT1 (0.40) | EPHX1EPHX2PTAFRL3MBTL1NPC1 | |
| SCHEMBL20257403 | 0.93 | L3MBTL1 (0.43) | L3MBTL1NPC1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL20257434 | 0.92 | L3MBTL1 (0.40) | L3MBTL1NPC1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL20257432 | 0.88 | NPY1R (0.38) | L3MBTL1NPC1CYP3A4FAAH | |
| SCHEMBL20257514 | 0.87 | CHRNB2 (0.42) | L3MBTL1CTSLCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL20241812 | 0.86 | AKT1 (0.47) | L3MBTL1NPC1CTSLCTSBCHRNB2 | |
| SCHEMBL21553986 | 0.86 | AKT1 (0.42) | L3MBTL1NPC1MMP9CYP3A4FAAH | |
| SCHEMBL20257513 | 0.86 | PTAFR (0.40) | EPHX1EPHX2PTAFRFESRET | |
| SCHEMBL20241617 | 0.86 | AKT1 (0.46) | L3MBTL1NPC1CTSLCTSBCHRNB2 | |
| SCHEMBL21553989 | 0.85 | AKT1 (0.41) | L3MBTL1NPC1MMP9CYP3A4FAAH |
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-2018106519-A1 | HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-06-14 | — | — | WO | disclosed |