Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.36 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP14 | Q460N5 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL18640105 | 0.98 | HRH3 (0.38) | HRH3CYP2D6PARP10PARP15PARP14 | |
| SCHEMBL18639873 | 0.97 | PARP10 (0.37) | HRH3CYP2D6PARP10PARP15PARP14 | |
| SCHEMBL18640174 | 0.94 | DRD4 (0.37) | HRH3CYP2D6PARP10PARP15PARP14 | |
| SCHEMBL18639933 | 0.94 | DRD4 (0.37) | HRH3CYP2D6PARP10PARP15PARP14 | |
| SCHEMBL18639930 | 0.91 | PARP14 (0.40) | HRH3PARP14KCNH2IGF1RMKNK1 | |
| SCHEMBL18640246 | 0.90 | PARP10 (0.34) | HRH3CYP2D6PARP10PARP15PARP14 | |
| SCHEMBL18640015 | 0.90 | MAP3K12 (0.37) | HRH3CYP2D6PARP14KCNH2MKNK1 | |
| SCHEMBL18639788 | 0.89 | HRH3 (0.36) | HRH3CYP2D6PARP14IGF1RMKNK1 | |
| SCHEMBL18640125 | 0.88 | PARP10 (0.34) | HRH3CYP2D6PARP10PARP15PARP14 | |
| SCHEMBL18664380 | 0.87 | HRH3 (0.40) | HRH3CYP2D6KCNH2IGF1RMKNK1 |
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-2017045751-A1 | COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |