Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | TYMP | P19971 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11119211 | 0.74 | KMT2A (0.56) | ALDH1A1TYMPPIM1PIM3BTK | |
| SCHEMBL27658776 | 0.73 | PARP1 (0.48) | GAAALDH1A1KDM4EPARP1BRD4 | |
| SCHEMBL2673855 | 0.72 | KDM4E (0.43) | GAAALDH1A1GSK3AKDM4EBRD4 | |
| SCHEMBL27796214 | 0.71 | PARP1 (0.49) | ALDH1A1PARP10PARP11DYRK1ABTK | |
| SCHEMBL27796217 | 0.69 | CECR2 (0.45) | PARP1BRD4CREBBP | |
| SCHEMBL14837406 | 0.69 | PARP1 (0.52) | ALDH1A1TYMPDYRK1AKDM4ETSHR | |
| SCHEMBL918061 | 0.69 | KDM4E (0.44) | GAAALDH1A1APOBEC3GKDM4ETSHR | |
| SCHEMBL16685271 | 0.67 | CYP2A6 (0.54) | ALDH1A1KDM4ETSHRHTTHSD17B10 | |
| SCHEMBL21476509 | 0.66 | CYP2A6 (0.60) | ALDH1A1KDM4ETSHRHTTHSD17B10 | |
| SCHEMBL858712 | 0.66 | LATS1 (0.50) | ALDH1A1PIM1GSK3ADYRK1APIM3 |
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 |