Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALML3 | P27482 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1393641 | 0.91 | MAOA (0.52) | CALML3CYP3A4CYP2D6CYP2C19MAOA | |
| SCHEMBL14002329 | 0.88 | CALML3 (0.49) | CALML3CYP3A4CYP2D6CYP2C19MAOA | |
| SCHEMBL1393638 | 0.85 | CALML3 (0.46) | CALML3CYP3A4CYP2D6CYP2C19MAOA | |
| SCHEMBL14026512 | 0.83 | CYP3A4 (0.42) | CALML3CYP3A4CYP2D6CYP2C19MAOA | |
| SCHEMBL10259436 | 0.81 | MAOA (0.52) | CALML3CYP3A4CYP2D6CYP2C19MAOA | |
| SCHEMBL1395005 | 0.81 | MAOA (0.52) | CALML3CYP3A4CYP2D6CYP2C19MAOA | |
| SCHEMBL18403017 | 0.80 | MAOA (0.51) | CALML3CYP3A4CYP2D6MAOA | |
| SCHEMBL1394719 | 0.79 | MAOA (0.52) | CALML3CYP3A4CYP2D6CYP2C19MAOA | |
| SCHEMBL1393711 | 0.79 | MAOA (0.55) | CALML3MAOA | |
| SCHEMBL1393712 | 0.79 | MAOA (0.55) | CALML3MAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-7456206-B2 | Biaryl heterocyclic compounds and methods of making and using the same | RIB-X PHARMACEUTICALS, INC. (US) | 2008-11-25 | — | — | US | disclosed |