Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.51 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.47 |
| ▸ | IKBKE | Q14164 | 4/20 | 0.46 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 5/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11563049 | 0.87 | DHODH (0.50) | PARP1DHODH | |
| SCHEMBL11564377 | 0.82 | CHEK2 (0.49) | PARP1CHEK2IKBKETBK1KDM4E | |
| SCHEMBL11561192 | 0.76 | PARP1 (0.41) | PARP1ALDH1A1HPGDDHODHRAB9A | |
| SCHEMBL7325071 | 0.73 | PARP1 (0.79) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL11562006 | 0.70 | HTR6 (0.44) | ALDH1A1CYP1A2GAANPC1PKM | |
| SCHEMBL11563800 | 0.69 | BRD4 (0.43) | PARP1ALDH1A1CYP1A2GAAMAPT | |
| SCHEMBL1662758 | 0.69 | CHEK2 (0.76) | CHEK2IKBKETBK1KDM4EALDH1A1 | |
| SCHEMBL7319077 | 0.68 | PARP1 (1.00) | PARP1PLA2G2AALOX15PTGS2CHEK2 | |
| SCHEMBL11563052 | 0.68 | PIN1 (0.43) | PARP1ALOX15CHEK2KDM4EALDH1A1 | |
| SCHEMBL2811097 | 0.68 | PARP1 (0.77) | PARP1PLA2G2AALOX15PTGS2CHEK2 |
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-4176184-A | CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DE) | 1979-11-27 | — | — | US | disclosed |