Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 9/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 9/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 9/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18639984 | 0.94 | TLR9 (0.39) | TLR9TLR8TLR7HRH3ALK | |
| SCHEMBL18640072 | 0.89 | HRH3 (0.41) | HRH3CYP2D6MEN1KMT2AL3MBTL1 | |
| SCHEMBL18639788 | 0.81 | HRH3 (0.36) | TLR9TLR8TLR7HRH3ALK | |
| SCHEMBL18664066 | 0.79 | TLR9 (0.36) | TLR9TLR8TLR7HRH3ALK | |
| SCHEMBL18639994 | 0.77 | HRH3 (0.40) | HRH3MEN1KMT2AL3MBTL1 | |
| SCHEMBL18664392 | 0.77 | CTSS (0.34) | TLR9TLR8TLR7HRH3ALK | |
| SCHEMBL18639855 | 0.76 | MEN1 (0.42) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL18640010 | 0.76 | SLC6A2 (0.43) | TLR9TLR8TLR7KCNH2 | |
| SCHEMBL18639868 | 0.75 | PARP14 (0.37) | TLR9TLR8TLR7HRH3ALK | |
| SCHEMBL18639963 | 0.74 | ESR1 (0.36) | HRH3MEN1KMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017045751-A1 | COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |
| WO-2017045751-A1 | COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |