Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 6/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.36 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 3/20 | 0.31 |
| ▸ | INSR | P06213 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | LYN | P07948 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18639868 | 0.94 | PARP14 (0.37) | HRH3TLR9TLR8TLR7PARP14 | |
| SCHEMBL18640015 | 0.91 | MAP3K12 (0.37) | HRH3TLR9TLR8TLR7PARP14 | |
| SCHEMBL18640110 | 0.89 | HRH3 (0.40) | HRH3PARP14MKNK1MKNK2CYP2D6 | |
| SCHEMBL18640105 | 0.89 | HRH3 (0.38) | HRH3PARP14MKNK1MKNK2CYP2D6 | |
| SCHEMBL18639930 | 0.89 | PARP14 (0.40) | HRH3TLR9TLR8TLR7PARP14 | |
| SCHEMBL18639873 | 0.88 | PARP10 (0.37) | HRH3PARP14CYP2D6IGF1R | |
| SCHEMBL18664066 | 0.86 | TLR9 (0.36) | HRH3TLR9TLR8TLR7PARP14 | |
| SCHEMBL18640174 | 0.84 | DRD4 (0.37) | HRH3PARP14CYP2D6 | |
| SCHEMBL18639933 | 0.84 | DRD4 (0.37) | HRH3PARP14CYP2D6 | |
| SCHEMBL18639865 | 0.81 | TLR9 (0.40) | HRH3TLR9TLR8TLR7PARP14 |
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 |