Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
| ▸ | ROS1 | P08922 | 1/20 | 0.30 |
| ▸ | MARK3 | P27448 | 1/20 | 0.30 |
| ▸ | LTK | P29376 | 1/20 | 0.30 |
| ▸ | FLT4 | P35916 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28118957 | 0.89 | TRPA1 (0.38) | TRPA1PNMTASIC3TDP1L3MBTL1 | |
| SCHEMBL23624739 | 0.78 | ALDH1A1 (0.36) | L3MBTL1PARP1PARP10 | |
| SCHEMBL208137 | 0.73 | PNMT (0.36) | TRPA1PNMTASIC3APPBACE1 | |
| SCHEMBL28119244 | 0.73 | TRPA1 (0.38) | TRPA1PNMTASIC3TDP1L3MBTL1 | |
| SCHEMBL29640801 | 0.73 | TRPA1 (0.38) | TRPA1PNMTASIC3TDP1L3MBTL1 | |
| SCHEMBL520026 | 0.72 | TSHR (0.44) | TRPA1 | |
| Bromide SCHEMBL5708772 | 0.69 | KDM4E (0.36) | L3MBTL1 | |
| SCHEMBL5540692 | 0.68 | PNMT (0.38) | TRPA1PNMTASIC3APPBACE1 | |
| SCHEMBL12471274 | 0.67 | TSHR (0.48) | TRPA1L3MBTL1 | |
| SCHEMBL5713754 | 0.67 | PNMT (0.37) | TRPA1PNMTASIC3APPBACE1 |
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-2023139085-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | disclosed |