Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.61 |
| ▸ | HTR1A | P08908 | 4/20 | 0.51 |
| ▸ | DRD2 | P14416 | 3/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.49 |
| ▸ | PDE9A | O76083 | 1/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10946452 | 0.86 | TAAR1 (0.44) | TAAR1HTR1ADRD2ABCB1ADRA2A | |
| SCHEMBL10944433 | 0.84 | PARP1 (0.54) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL954052 | 0.80 | ADRA2A (0.55) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL10848795 | 0.80 | L3MBTL1 (0.51) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL28103549 | 0.79 | ADRA2A (0.69) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL11703352 | 0.78 | FABP3 (0.46) | TAAR1ADRA2AADRA2BADRA2CPOLB | |
| SCHEMBL11702882 | 0.78 | TAAR1 (0.73) | TAAR1MAOAMAOBLTA4HGAA | |
| SCHEMBL10601013 | 0.77 | DRD2 (0.69) | HTR1ADRD2ABCB1MAOAMAOB | |
| SCHEMBL9243 | 0.77 | TAAR1 (1.00) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL10944476 | 0.77 | TBXAS1 (0.51) | TAAR1HTR1AADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0600315-A1 | Use of bentylimidazolyl derivatives as microbiocides for protecting materials | BAYER AG (DE) | 1994-06-08 | — | — | EP | disclosed |