Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALML3 | P27482 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1395005 | 0.93 | MAOA (0.52) | CALML3CYP3A4CYP2D6MAOACYP2C19 | |
| SCHEMBL10259436 | 0.93 | MAOA (0.52) | CALML3CYP3A4CYP2D6MAOACYP2C19 | |
| SCHEMBL1395003 | 0.87 | CALML3 (0.46) | CALML3CYP3A4CYP2D6MAOACYP2C19 | |
| SCHEMBL1393641 | 0.83 | MAOA (0.52) | CALML3CYP3A4CYP2D6MAOACYP2C19 | |
| SCHEMBL1393645 | 0.82 | MAOA (0.57) | CALML3CYP3A4CYP2D6MAOA | |
| SCHEMBL1393883 | 0.81 | MAOA (0.52) | CALML3CYP3A4MAOACYP2C19 | |
| SCHEMBL14432547 | 0.81 | MAOA (0.57) | CALML3MAOA | |
| SCHEMBL1394108 | 0.81 | MAOA (0.51) | CALML3MAOA | |
| SCHEMBL14432561 | 0.80 | MAOA (0.57) | CALML3MAOA | |
| SCHEMBL14432583 | 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-9550783-B2 | Biaryl heterocyclic compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2017-01-24 | — | — | US | disclosed |