Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.61 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA4 | P22748 | 5/20 | 0.41 |
| ▸ | CA5A | P35218 | 5/20 | 0.41 |
| ▸ | CA7 | P43166 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5621648 | 0.96 | PARP1 (0.56) | PARP1PARP2CA12CA1CA2 | |
| SCHEMBL7705471 | 0.87 | PARP1 (0.62) | PARP1PARP2KCNH2LTA4H | |
| SCHEMBL7706345 | 0.87 | PARP1 (0.61) | PARP1PARP2HTR2CDRD4 | |
| SCHEMBL7706351 | 0.87 | PARP1 (0.61) | PARP1PARP2DRD4 | |
| SCHEMBL7708439 | 0.86 | PARP1 (0.83) | PARP1PARP2 | |
| SCHEMBL7706365 | 0.85 | PARP1 (0.57) | PARP1PARP2HTR2AKCNH2 | |
| SCHEMBL7708486 | 0.84 | PARP1 (0.58) | PARP1PARP2HTR2CKCNH2LTA4H | |
| SCHEMBL5621241 | 0.84 | PARP1 (0.58) | PARP1PARP2KCNH2DRD4 | |
| SCHEMBL7706349 | 0.84 | PARP1 (0.61) | PARP1PARP2KCNH2 | |
| SCHEMBL7705626 | 0.84 | PARP1 (0.56) | PARP1PARP2KCNH2LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| 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 |