Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7043782 | 0.99 | PARP1 (0.52) | PARP1PARP2CYP2D6MEN1CYP3A4 | |
| SCHEMBL7043532 | 0.97 | PARP1 (0.48) | PARP1PARP2CYP2D6KDM2BHRH1 | |
| SCHEMBL7043437 | 0.96 | PARP1 (0.49) | PARP1PARP2CYP2D6KDM2BHRH1 | |
| SCHEMBL7042613 | 0.96 | PARP1 (0.56) | PARP1PARP2CYP2D6HPGDMEN1 | |
| SCHEMBL7046731 | 0.95 | PARP1 (0.56) | PARP1PARP2CYP2D6HPGDMEN1 | |
| SCHEMBL7035297 | 0.90 | PARP1 (0.52) | PARP1PARP2KDM2BHRH1DRD3 | |
| SCHEMBL7042319 | 0.90 | PARP1 (0.52) | PARP1PARP2CYP2D6KDM2BHRH1 | |
| SCHEMBL7044350 | 0.90 | PARP1 (0.53) | PARP1PARP2KDM2BHRH1DRD3 | |
| SCHEMBL7042194 | 0.89 | PARP1 (0.47) | PARP1CYP2D6KDM2BHRH1DRD3 | |
| SCHEMBL7045127 | 0.89 | PARP1 (0.47) | PARP1CYP2D6KDM2BHRH1DRD3 |
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-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |