Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1016464 | 0.91 | PARP1 (0.37) | PARP1ALDH1A1KDM4EALOX15HRH3 | |
| SCHEMBL1070174 | 0.90 | PARP1 (0.39) | PARP1ALDH1A1KDM4EALOX15HRH3 | |
| SCHEMBL1603356 | 0.88 | PARP1 (0.35) | PARP1ALDH1A1KDM4EALOX15HRH3 | |
| SCHEMBL1018243 | 0.87 | ADRA1A (0.41) | PARP1ALDH1A1KDM4EHRH3HTT | |
| SCHEMBL1018889 | 0.86 | PARP1 (0.41) | PARP1ALDH1A1KDM4EALOX15HRH3 | |
| SCHEMBL14420825 | 0.82 | PARP1 (0.34) | PARP1ALDH1A1KDM4EALOX15HRH3 | |
| SCHEMBL1017297 | 0.81 | HRH3 (0.42) | PARP1ALDH1A1KDM4EHRH3KCNH2 | |
| SCHEMBL1016304 | 0.81 | HRH3 (0.43) | PARP1ALDH1A1KDM4EHRH3KCNH2 | |
| SCHEMBL1016478 | 0.79 | PARP1 (0.40) | PARP1ALDH1A1KDM4EHRH3KCNH2 | |
| SCHEMBL1014079 | 0.79 | HRH3 (0.41) | PARP1ALDH1A1KDM4EALOX15HRH3 |
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 |