Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 16/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14012506 | 1.00 | MAOA (0.50) | MAOAKCNH2MAOBCYP3A4CYP2C9 | |
| SCHEMBL13711597 | 0.90 | MAOA (0.63) | MAOACYP3A4CYP2C9CYP2D6 | |
| SCHEMBL3368491 | 0.90 | MAOA (0.63) | MAOACYP3A4CYP2C9CYP2D6 | |
| SCHEMBL5103664 | 0.89 | KCNH2 (0.47) | MAOAKCNH2CYP3A4CYP2C9 | |
| SCHEMBL3368642 | 0.89 | MAOA (0.48) | MAOAMAOBCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL14012755 | 0.89 | MAOA (0.48) | MAOAMAOBCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL3366585 | 0.88 | MAOA (0.46) | MAOAMAOBCYP3A4CYP2C9 | |
| SCHEMBL3366579 | 0.88 | MAOA (0.46) | MAOAMAOBCYP3A4CYP2C9 | |
| SCHEMBL3366574 | 0.88 | MAOA (0.46) | MAOAMAOBCYP3A4CYP2C9 | |
| SCHEMBL3370514 | 0.88 | KCNH2 (0.52) | MAOAKCNH2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646629-B1 | CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF | MERCK SHARP & DOHME (US) | 2010-06-23 | — | — | EP | disclosed |
| 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 |