Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 8/20 | 0.91 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21391659 | 0.98 | NISCH (0.95) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL11132717 | 0.95 | NISCH (0.83) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL8142116 | 0.95 | NISCH (1.00) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL1139763 | 0.95 | NISCH (1.00) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL11132739 | 0.93 | NISCH (0.87) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL11134164 | 0.93 | NISCH (0.78) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL12556941 | 0.93 | — | — | |
| SCHEMBL4073906 | 0.84 | NISCH (0.73) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL10854575 | 0.84 | NISCH (0.73) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL11131418 | 0.84 | NISCH (0.65) | NISCHCYP2D6HTR1AADRA2AADRA1A |
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-4423204-A | HEAT RESISTANCE MOLDING MATERIALS | THE UPJOHN COMPANY (US) | 1983-12-27 | — | — | US | disclosed |