Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14837418 | 0.85 | LMNA (0.45) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14837181 | 0.84 | LDHA (0.42) | PARP1KDM4EALDH1A1LDHALDHB | |
| SCHEMBL14836947 | 0.83 | PARP1 (0.39) | PARP1KMT2ASMN1; SMN2 | |
| SCHEMBL918232 | 0.78 | PARP1 (0.35) | PARP1ALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL14837182 | 0.77 | SIGMAR1 (0.47) | PARP1ALDH1A1MEN1KMT2A | |
| SCHEMBL917641 | 0.76 | PARP1 (0.38) | PARP1ALDH1A1 | |
| SCHEMBL14837106 | 0.75 | KMT2A (0.43) | PARP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL2673369 | 0.74 | RAB9A (0.38) | RAB9ATDP1SCN8APTPN1ALDH1A1 | |
| SCHEMBL27796221 | 0.74 | PARP1 (0.32) | PARP1ALDH1A1 | |
| SCHEMBL917830 | 0.74 | PARP1 (0.37) | PARP1ALDH1A1MEN1KMT2ASMN1; SMN2 |
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-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | disclosed |