Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HRH2 | P25021 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1020589 | 0.82 | PARP1 (0.41) | TMEM97SIGMAR1PARP1HRH3HTR1A | |
| SCHEMBL1017152 | 0.81 | HRH3 (0.51) | TMEM97SIGMAR1PARP1HRH3HTR1A | |
| SCHEMBL1017103 | 0.81 | HRH3 (0.49) | TMEM97SIGMAR1PARP1HRH3HTR1A | |
| SCHEMBL1016821 | 0.80 | ALDH1A1 (0.45) | TMEM97SIGMAR1PARP1HRH3CHRM4 | |
| SCHEMBL1014992 | 0.80 | TMEM97 (0.42) | TMEM97SIGMAR1PARP1HRH3HTR1A | |
| SCHEMBL1014022 | 0.79 | HRH3 (0.48) | TMEM97SIGMAR1PARP1HRH3HTR1A | |
| SCHEMBL1018277 | 0.79 | TMEM97 (0.40) | TMEM97SIGMAR1PARP1HRH3HTR1A | |
| SCHEMBL1017287 | 0.78 | FAAH (0.44) | PARP1HRH3ALDH1A1PKMGAA | |
| SCHEMBL1018373 | 0.78 | TMEM97 (0.40) | TMEM97SIGMAR1PARP1HRH3HTR1A | |
| SCHEMBL1018194 | 0.78 | ALDH1A1 (0.45) | PARP1HRH3ALDH1A1PKMGAA |
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-1998620-B1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2011-01-12 | — | — | EP | disclosed |