Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.55 |
| ▸ | HTR1B | P28222 | 1/20 | 0.55 |
| ▸ | NISCH | Q9Y2I1 | 9/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3169446 | 0.89 | HTR1D (0.61) | HTR1DHTR1BNISCHMAOAMAOB | |
| SCHEMBL3178923 | 0.88 | NISCH (0.59) | NISCHTAAR1MAOAMAOBADRA1A | |
| Hydrochloric Acid SCHEMBL9654820 | 0.78 | NISCH (0.64) | NISCHMAOAMAOBADRA1AADRA2A | |
| SCHEMBL546268 | 0.76 | NISCH (0.78) | NISCHMAOAMAOBADRA1AADRA2A | |
| Hydrochloric Acid SCHEMBL9654109 | 0.75 | NISCH (0.76) | NISCHMAOAMAOBADRA1AADRA2A | |
| SCHEMBL3962998 | 0.74 | NISCH (0.74) | NISCHMAOAMAOBADRA1AADRA2A | |
| SCHEMBL3170348 | 0.73 | NISCH (0.62) | NISCHTAAR1MAOAMAOBADRA1A | |
| Hydrochloric Acid SCHEMBL9654911 | 0.73 | NISCH (0.72) | NISCHMAOAMAOBADRA1AADRA2A | |
| SCHEMBL3169242 | 0.73 | NISCH (0.68) | NISCHMAOAMAOBADRA1AADRA2A | |
| SCHEMBL3671907 | 0.72 | KDM4E (0.38) | HTR1DHTR1BADRA1AADRA2AADRA2B |
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 |