Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 9/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL20613152 | 0.79 | TRPA1 (0.48) | TRPA1MAOAMAOBCYP11B2CYP11B1 | |
| SCHEMBL4536909 | 0.74 | MAOA (0.44) | TRPA1MAOAMAOB | |
| SCHEMBL275380 | 0.72 | MAOA (0.47) | TRPA1MAOAMAOBCYP11B2CYP11B1 | |
| SCHEMBL7334826 | 0.71 | TRPA1 (0.38) | TRPA1MAOAMAOB | |
| Trifluoroacetic Acid SCHEMBL8881145 | 0.68 | MAOA (0.38) | TRPA1MAOAMAOB | |
| SCHEMBL2713020 | 0.67 | PARP1 (0.36) | TRPA1MAOAMAOBCYP11B2CYP11B1 | |
| SCHEMBL3101816 | 0.66 | TRPA1 (0.42) | TRPA1CYP11B2 | |
| SCHEMBL7436002 | 0.64 | TRPA1 (0.42) | TRPA1MAOAMAOBCYP11B2 | |
| SCHEMBL6997599 | 0.64 | TRPA1 (0.46) | TRPA1MAOAMAOBCYP11B2CYP11B1 | |
| SCHEMBL3707900 | 0.64 | TRPA1 (0.46) | TRPA1MAOAMAOBCYP11B2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1904069-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007011820-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2007-01-25 | — | — | WO | disclosed |