Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 15/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9375560 | 0.75 | NISCH (0.61) | NISCHKDM4ECYP1A2 | |
| SCHEMBL8887144 | 0.75 | NISCH (0.66) | NISCHKDM4ECYP1A2 | |
| SCHEMBL11631248 | 0.71 | NISCH (0.41) | NISCHKDM4ECYP1A2 | |
| SCHEMBL9201485 | 0.70 | NISCH (1.00) | NISCH | |
| SCHEMBL9579892 | 0.69 | NISCH (0.81) | NISCH | |
| SCHEMBL11805057 | 0.69 | NISCH (0.53) | NISCH | |
| SCHEMBL11805066 | 0.68 | NISCH (0.51) | NISCHMAOB | |
| Hydrochloric Acid SCHEMBL11807546 | 0.68 | NISCH (0.51) | NISCH | |
| Bicarbonate SCHEMBL9375006 | 0.67 | NISCH (0.52) | NISCH | |
| Hydrochloric Acid SCHEMBL11807552 | 0.67 | NISCH (0.50) | NISCHMAOB |
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-4081544-A | ANTIDEPRESSANTS | SCHERING CORPORATION (US) | 1978-03-28 | — | — | US | disclosed |
| US-3932431-A | ANTIDEPRESSANT, ANTIINFLAMMATORY | SCHERING CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |