Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 15/20 | 0.65 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.65 |
| ▸ | CD38 | P28907 | 1/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6841346 | 0.83 | PARP1 (0.61) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL6842032 | 0.82 | PARP1 (0.60) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL10869434 | 0.81 | GRIN1 (0.74) | GRIN1GRIN2B | |
| SCHEMBL6842016 | 0.81 | PARP1 (0.61) | PARP1PLA2G2AALOX15PTGS2HDAC3 | |
| Hydrochloric Acid SCHEMBL10410762 | 0.80 | GRIN1 (0.73) | GRIN1GRIN2B | |
| SCHEMBL23581718 | 0.80 | PARP1 (0.61) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL7319077 | 0.79 | PARP1 (1.00) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| Hydrochloric Acid SCHEMBL28060188 | 0.79 | PARP1 (0.59) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL23581692 | 0.78 | PARP1 (0.66) | PARP1CHEK2 | |
| SCHEMBL25022851 | 0.76 | PARP1 (0.63) | PARP1CHEK2 |
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-0841924-A1 | BENZIMIDAZOLE COMPOUNDS | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997004771-A1 | BENZIMIDAZOLE COMPOUNDS | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 1997-02-13 | — | — | WO | disclosed |