Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7043438 | 0.99 | ALDH1A1 (0.46) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7043857 | 0.98 | ALDH1A1 (0.43) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7041749 | 0.97 | ALDH1A1 (0.44) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7047366 | 0.92 | NPSR1 (0.40) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7040070 | 0.92 | NPSR1 (0.40) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7043633 | 0.91 | PARP1 (0.41) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7043364 | 0.91 | PARP1 (0.42) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7043228 | 0.91 | PARP1 (0.42) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7040553 | 0.91 | PARP1 (0.43) | ALDH1A1NPSR1PARP1LMNAGAA | |
| SCHEMBL7040708 | 0.90 | ALDH1A1 (0.39) | ALDH1A1NPSR1PARP1LMNA |
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 3 patents. 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 |
| EP-1133477-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000032579-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-08 | — | — | WO | disclosed |