Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 17/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13711500 | 1.00 | MAOA (0.53) | MAOACYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL13711597 | 0.93 | MAOA (0.63) | MAOACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3368491 | 0.93 | MAOA (0.63) | MAOACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3368907 | 0.92 | MAOA (0.47) | MAOACYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3366657 | 0.91 | MAOA (0.47) | MAOACYP3A4CYP2C9KCNH2 | |
| SCHEMBL3368742 | 0.91 | MAOA (0.47) | MAOACYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3368070 | 0.91 | MAOA (0.49) | MAOACYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL13711602 | 0.91 | MAOA (0.49) | MAOACYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL13711581 | 0.90 | MAOA (0.49) | MAOACYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL3367228 | 0.90 | MAOA (0.49) | MAOACYP3A4CYP2D6CYP2C9KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582659-B2 | Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof | MERCK & CO., INC. (US) | 2009-09-01 | — | — | US | disclosed |
| US-7462633-B2 | Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof | MERCK & CO., INC. (US) | 2008-12-09 | — | — | US | disclosed |