Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.68 |
| ▸ | PARP2 | Q9UGN5 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL835757 | 0.83 | PARP1 (0.74) | PARP1PARP2HTTLMNAPOLB | |
| SCHEMBL834540 | 0.81 | PARP1 (1.00) | PARP1PARP2HTTLMNAPOLB | |
| SCHEMBL12336994 | 0.74 | PARP1 (0.54) | PARP1PARP2HTTLMNAPOLB | |
| SCHEMBL1355339 | 0.74 | PARP1 (0.61) | PARP1PARP2HTTLMNAHSD17B10 | |
| SCHEMBL12714874 | 0.72 | PARP1 (0.63) | PARP1PARP2HTTLMNAPOLB | |
| SCHEMBL29955619 | 0.71 | PARP1 (0.58) | PARP1PARP2HTTLMNA | |
| SCHEMBL20468587 | 0.71 | PARP1 (0.58) | PARP1PARP2HTTLMNA | |
| SCHEMBL14996499 | 0.70 | PARP1 (0.57) | PARP1PARP2HTTLMNA | |
| SCHEMBL25767173 | 0.70 | PARP1 (0.57) | PARP1PARP2HTTLMNA | |
| SCHEMBL18089021 | 0.70 | PARP1 (0.57) | PARP1PARP2HTTLMNA |
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-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |