Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041082 | 0.95 | PARP1 (0.52) | PARP1MEN1KMT2AOPRK1HTR2B | |
| SCHEMBL6864902 | 0.86 | MEN1 (0.45) | MEN1KMT2AOPRK1 | |
| SCHEMBL7040201 | 0.85 | PARP1 (0.54) | PARP1MEN1KMT2AHTR2B | |
| SCHEMBL7042531 | 0.85 | PARP1 (0.56) | PARP1MEN1KMT2ADRD2DRD4 | |
| SCHEMBL5622218 | 0.85 | PARP1 (0.76) | PARP1OPRK1DRD2DRD4HTR6 | |
| SCHEMBL7041477 | 0.85 | DRD2 (0.44) | MEN1KMT2AOPRK1DRD2DRD4 | |
| SCHEMBL7040495 | 0.84 | PARP1 (0.65) | PARP1DRD2 | |
| SCHEMBL7038527 | 0.83 | PARP1 (0.52) | PARP1MEN1KMT2ADRD4 | |
| SCHEMBL7045615 | 0.82 | PARP1 (0.51) | PARP1HTR2B | |
| SCHEMBL7040971 | 0.82 | HTR7 (0.42) | DRD2DRD4KDM4EALDH1A1TDP1 |
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 |