Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 5/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 4/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.43 |
| ▸ | HPSE | Q9Y251 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6812093 | 0.88 | CHEK2 (0.61) | CHEK2PARP1HDAC3HDAC1HDAC2 | |
| SCHEMBL6587283 | 0.82 | DHODH (0.53) | CHEK2PARP1HDAC3HDAC1HDAC2 | |
| SCHEMBL6812100 | 0.78 | OPRM1 (0.46) | CHEK2PARP1HDAC3HDAC1HDAC2 | |
| SCHEMBL30811255 | 0.75 | CHEK2 (0.77) | CHEK2PARP1HDAC3HDAC1HDAC2 | |
| SCHEMBL29179985 | 0.75 | CHEK2 (0.77) | CHEK2PARP1HDAC3HDAC1HDAC2 | |
| SCHEMBL6378792 | 0.74 | HPSE (0.54) | CHEK2PARP1HDAC3HDAC1HDAC2 | |
| SCHEMBL6383551 | 0.73 | PARP1 (0.71) | PARP1HDAC3HDAC1HDAC2DHODH | |
| SCHEMBL6590773 | 0.72 | AURKB (0.43) | PARP1DHODHHPSEAURKAKDR | |
| SCHEMBL7763607 | 0.72 | AURKB (0.58) | PARP1DHODHHPSEAURKAKDR | |
| SCHEMBL6587823 | 0.72 | AURKB (0.55) | PARP1DHODHAURKAKDRAURKB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177178-B1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | ABBOTT GMBH & CO KG (DE) | 2004-12-29 | — | — | EP | disclosed |
| WO-2001082877-A2 | USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-08 | — | — | WO | disclosed |