Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 6/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27578116 | 0.87 | MAOA (0.53) | TRPA1MAOAMAOBHTR7HTR2B | |
| SCHEMBL8198726 | 0.85 | MAOA (0.52) | TRPA1MAOAMAOBMAPKAPK2KDM4E | |
| SCHEMBL5692 | 0.85 | MAOA (0.52) | TRPA1MAOAMAOBMAPKAPK2KDM4E | |
| Carbamic Acid SCHEMBL10594185 | 0.85 | MAOA (0.44) | TRPA1MAOAMAOBPARP1HTR7 | |
| Carbonotrithioic Acid SCHEMBL18320929 | 0.84 | CYP2C9 (0.41) | TRPA1MAOAMAOBPARP1HTR7 | |
| SCHEMBL11795754 | 0.84 | MAOA (0.47) | TRPA1MAOAMAOBPARP1HTR7 | |
| Hydrochloric Acid SCHEMBL6864147 | 0.84 | MAOA (0.50) | TRPA1MAOAMAOBHTR7HTR2B | |
| SCHEMBL6404019 | 0.84 | MAOA (0.50) | TRPA1MAOAMAOBHTR7HTR2B | |
| Ammonia Solution, Strong SCHEMBL7709867 | 0.84 | MAOA (0.50) | TRPA1MAOAMAOBMAPKAPK2KDM4E | |
| SCHEMBL6864141 | 0.84 | MAOA (0.50) | TRPA1MAOAMAOBHTR7HTR2B |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002179676-A | NEW XANTHENECARBOXAMIDE DERIVATIVE | BANYU PHARMACEUT CO LTD | 2002-06-26 | — | — | JP | disclosed |