Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 12/20 | 0.85 |
| ▸ | MAOA | P21397 | 3/20 | 0.63 |
| ▸ | MAOB | P27338 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 4/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3163676 | 0.92 | NISCH (1.00) | NISCHMAOAMAOBCYP2D6NFKB1 | |
| SCHEMBL3172922 | 0.88 | NISCH (0.71) | NISCHMAOAMAOBCYP2D6HTR1A | |
| Hydrochloric Acid SCHEMBL11251146 | 0.86 | NISCH (0.69) | NISCHMAOAMAOBCYP2D6HTR1A | |
| Hydrochloric Acid SCHEMBL11541553 | 0.82 | NISCH (0.63) | NISCHMAOAMAOBCYP2D6HTR1A | |
| SCHEMBL3173653 | 0.80 | NISCH (0.68) | NISCHMAOAMAOBCYP2D6TAAR1 | |
| SCHEMBL546875 | 0.79 | NISCH (1.00) | NISCHMAOAMAOBCYP2D6TAAR1 | |
| Fenmetozole SCHEMBL30295426 | 0.78 | NISCH (0.65) | NISCHMAOAMAOBCYP2D6TAAR1 | |
| Fenmetozole SCHEMBL635495 | 0.78 | NISCH (0.65) | NISCHMAOAMAOBCYP2D6TAAR1 | |
| Hydrochloric Acid SCHEMBL11259967 | 0.77 | NISCH (0.97) | NISCHMAOAMAOBCYP2D6TAAR1 | |
| Fenmetozole SCHEMBL29913217 | 0.77 | NISCH (0.63) | NISCHMAOAMAOBCYP2D6TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2173720-A2 | 2-IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) | F. Hoffmann-Roche AG (CH) | 2010-04-14 | — | — | EP | claimed |
| WO-2009003868-A2 | 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-08 | — | — | WO | claimed |