Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALML3 | P27482 | 6/20 | 0.43 |
| ▸ | MAOA | P21397 | 9/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3195686 | 0.92 | CALML3 (0.51) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL13484627 | 0.92 | CALML3 (0.51) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL3195694 | 0.92 | CALML3 (0.51) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL3195699 | 0.92 | CALML3 (0.51) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL3212190 | 0.88 | MAOA (0.49) | CALML3MAOAMAOBCYP2C19CYP3A4 | |
| SCHEMBL3212196 | 0.88 | MAOA (0.49) | CALML3MAOAMAOBCYP2C19CYP3A4 | |
| SCHEMBL3196702 | 0.87 | CALML3 (0.43) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL13484671 | 0.87 | CALML3 (0.43) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL3197089 | 0.86 | MAOA (0.43) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL13484630 | 0.85 | MAOA (0.60) | MAOACYP2C9CYP3A4 |
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-2254892-A1 | BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES | Global Alliance For Tb Drug Development (US) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009120789-A1 | BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES | GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) | 2009-10-01 | — | — | WO | disclosed |