Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL31519123 | 1.00 | PARP1 (0.47) | PARP1KCNH2SLC6A2SLC6A4HTR2A | |
| SCHEMBL31519125 | 0.83 | PARP1 (0.45) | PARP1KCNH2SLC6A2SLC6A4HTR2A | |
| Water SCHEMBL2878916 | 0.81 | PARP1 (0.42) | PARP1KCNH2SLC6A2SLC6A4HTR2A | |
| SCHEMBL12467354 | 0.80 | PARP1 (0.51) | PARP1KCNH2SLC6A2SLC6A4HTR2A | |
| SCHEMBL638450 | 0.77 | MTNR1A (0.53) | MTNR1A | |
| SCHEMBL1150915 | 0.77 | PARP1 (0.51) | PARP1KCNH2SLC6A2SLC6A4HTR2A | |
| SCHEMBL3287609 | 0.77 | PARP1 (0.47) | PARP1KCNH2SLC6A2SLC6A4HTR2A | |
| SCHEMBL512639 | 0.77 | PARP1 (0.47) | PARP1KCNH2SLC6A2SLC6A4HTR2A | |
| SCHEMBL8747037 | 0.77 | PARP1 (0.47) | PARP1KCNH2SLC6A2SLC6A4HTR2A | |
| SCHEMBL1150770 | 0.77 | PARP1 (0.51) | PARP1KCNH2SLC6A2SLC6A4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |