Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | NPY1R | P25929 | 7/20 | 0.42 |
| ▸ | PARP1 | P09874 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7042453 | 0.99 | CHRM1 (0.44) | CHRM1HRH1NPY1RPARP1MEN1 | |
| SCHEMBL7042033 | 0.95 | NPY1R (0.40) | CHRM1HRH1NPY1RPARP1MEN1 | |
| SCHEMBL7042457 | 0.95 | JAK2 (0.39) | CHRM1HRH1NPY1RPARP1MEN1 | |
| SCHEMBL7040421 | 0.90 | JAK2 (0.44) | HRH1NPY1RPARP1MEN1CYP3A4 | |
| SCHEMBL7043993 | 0.89 | CHRM1 (0.46) | CHRM1HRH1NPY1RPARP1PARP2 | |
| SCHEMBL7041213 | 0.89 | CHRM1 (0.46) | CHRM1HRH1NPY1RPARP1PARP2 | |
| SCHEMBL7045696 | 0.86 | CHRM1 (0.48) | CHRM1HRH1NPY1RPARP1PARP2 | |
| SCHEMBL5621194 | 0.86 | PARP1 (0.53) | CHRM1HRH1PARP1MEN1CYP3A4 | |
| SCHEMBL7040702 | 0.86 | KMT2A (0.42) | NPY1RPARP1MEN1CYP3A4CYP2D6 | |
| SCHEMBL7044486 | 0.86 | CHRM1 (0.44) | CHRM1HRH1NPY1RPARP1PARP2 |
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 |