Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALML3 | P27482 | 6/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 7/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6023022 | 1.00 | CALML3 (0.52) | CALML3CYP2C19CYP3A4MAOAMAOB | |
| SCHEMBL13528049 | 0.91 | CALML3 (0.54) | CALML3CYP2C19CYP3A4MAOAMAOB | |
| SCHEMBL6024275 | 0.89 | CALML3 (0.49) | CALML3MAOAMAOB | |
| SCHEMBL6024277 | 0.89 | CALML3 (0.49) | CALML3MAOAMAOB | |
| SCHEMBL6023470 | 0.88 | CALML3 (0.49) | CALML3CYP2C19CYP3A4MAOAMAOB | |
| SCHEMBL6023468 | 0.88 | CALML3 (0.49) | CALML3CYP2C19CYP3A4MAOAMAOB | |
| SCHEMBL3166248 | 0.86 | MAOA (0.58) | CALML3MAOAMAOB | |
| SCHEMBL3166255 | 0.86 | MAOA (0.58) | CALML3MAOAMAOB | |
| SCHEMBL6024297 | 0.86 | MAOA (0.58) | CALML3MAOAMAOB | |
| SCHEMBL6023569 | 0.86 | CALML3 (0.47) | CALML3CYP2C19CYP3A4MAOAMAOB |
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-1713785-A1 | HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | Rib-X Pharmaceuticals, Inc. (US) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005061468-A1 | HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2005-07-07 | — | — | WO | disclosed |