Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 10/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9930195 | 1.00 | MAOA (0.40) | MAOAMAOBKCNH2CYP2E1CYP3A4 | |
| SCHEMBL9964667 | 0.83 | MAOA (0.42) | MAOAMAOBKCNH2CYP3A4CYP2D6 | |
| SCHEMBL9930258 | 0.83 | MAOA (0.36) | MAOAMAOBKCNH2CYP2E1CYP2C19 | |
| SCHEMBL9964805 | 0.81 | MAOA (0.44) | MAOAMAOBKCNH2CYP3A4CYP2D6 | |
| SCHEMBL9964800 | 0.81 | MAOA (0.44) | MAOAMAOBKCNH2CYP3A4CYP2D6 | |
| SCHEMBL9968722 | 0.79 | MAOA (0.42) | MAOAMAOBKCNH2CYP3A4CYP2D6 | |
| SCHEMBL13260631 | 0.78 | MAOA (0.58) | MAOAMAOBKCNH2CYP2E1CYP3A4 | |
| SCHEMBL5944820 | 0.78 | MAOA (0.58) | MAOAMAOBKCNH2CYP2E1CYP3A4 | |
| SCHEMBL9930289 | 0.78 | MAOB (0.54) | MAOAMAOBKCNH2CYP2E1CYP2C19 | |
| SCHEMBL9930577 | 0.77 | MAOA (0.36) | MAOAMAOBCYP2E1CYP2C19 |
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-2134721-A1 | ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS | Micurx Pharmaceuticals, Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008108988-A1 | ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS | MICURX PHARMACEUTICALS, INC. (US) | 2008-09-12 | — | — | WO | disclosed |