Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.40 |
| ▸ | CSF1R | P07333 | 3/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | PBK | Q96KB5 | 7/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.39 |
| ▸ | INSR | P06213 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | CLK2 | P49760 | 2/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.39 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.39 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.39 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620858 | 0.94 | PARP1 (0.49) | PARP1PARP2PBK | |
| SCHEMBL5621979 | 0.87 | PARP1 (0.47) | PARP1PARP2IKBKBCHUKPBK | |
| SCHEMBL5622252 | 0.84 | PARP1 (0.55) | PARP1PARP2CSF1RIKBKBCHUK | |
| SCHEMBL5620713 | 0.84 | PARP1 (0.54) | PARP1PARP2CSF1RIKBKBCHUK | |
| SCHEMBL5620132 | 0.83 | PARP1 (0.65) | PARP1PARP2CSF1RDYRK1AMAP4K4 | |
| SCHEMBL5621684 | 0.80 | PARP1 (0.50) | PARP1PARP2CSF1RIKBKBCHUK | |
| SCHEMBL5621633 | 0.79 | PARP1 (0.68) | PARP1PARP2CSF1RIKBKBCHUK | |
| Hydrochloric Acid SCHEMBL18614367 | 0.78 | PARP1 (0.67) | PARP1PARP2CSF1RIKBKBCHUK | |
| SCHEMBL5621408 | 0.78 | PARP1 (0.53) | PARP1PARP2CSF1RIKBKBCHUK | |
| SCHEMBL5621526 | 0.77 | PARP1 (0.52) | PARP1PARP2CSF1RPBKDYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| US-RE39608-E1 | Substituted benzimidazoles and their use as PARP inhibitors | ABBOTT GMBH & CO. KG (DE) | 2007-05-01 | — | — | US | disclosed |
| US-6448271-B1 | SUCH AS 2-(PIPERIDIN-4-YL)BENZIMIDAZOLE-4-CARBOXAMIDE; INHIBITORS OF ENZYME POLY(ADP-RIBOSE)POLYMERASE; IMPROVED WATER SOLUBILITY | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-10 | — | — | US | disclosed |