Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 4/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CBFB | Q13951 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6805765 | 0.87 | PARP1 (0.50) | PARP1DHODH | |
| SCHEMBL6805769 | 0.79 | KDM4E (0.37) | PARP1ALDH1A1KDM4EGAANPSR1 | |
| SCHEMBL7480910 | 0.76 | ALDH1A1 (0.41) | PARP1DHODHALDH1A1NPSR1MAPT | |
| SCHEMBL6587182 | 0.75 | MEN1 (0.52) | PARP1DHODHALDH1A1KDM4ENPSR1 | |
| SCHEMBL6586959 | 0.70 | KDM4E (0.56) | PARP1ALDH1A1KDM4EMAPT | |
| SCHEMBL6585095 | 0.70 | DHODH (0.47) | PARP1DHODHGAA | |
| SCHEMBL6587303 | 0.68 | EPHX2 (0.52) | PARP1DHODH | |
| SCHEMBL6588173 | 0.68 | PARP1 (0.49) | PARP1DHODHALDH1A1PDE5A | |
| SCHEMBL6578295 | 0.67 | PARP1 (0.52) | PARP1ALDH1A1KDM4EPDE4APDE4B | |
| SCHEMBL6589817 | 0.67 | PIM1 (0.41) | PARP1ALDH1A1KDM4EGAAMAPT |
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-1177178-B1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | ABBOTT GMBH & CO KG (DE) | 2004-12-29 | — | — | EP | disclosed |