Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8059448 | 0.96 | PARP1 (0.36) | PARP1ALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8070430 | 0.88 | PARP1 (0.36) | PARP1ALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8070427 | 0.82 | PARP1 (0.38) | PARP1ALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8059445 | 0.81 | PARP1 (0.37) | PARP1ALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8069957 | 0.81 | PARP1 (0.38) | PARP1ALDH1A1KDM4EMAPTDRD2 | |
| SCHEMBL8059450 | 0.79 | PARP1 (0.36) | PARP1ALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8069997 | 0.75 | KDM4E (0.32) | ALDH1A1KDM4EHSD17B10HPGDACHE | |
| SCHEMBL8070000 | 0.73 | PARP1 (0.50) | PARP1ALDH1A1KDM4EMAPTDRD2 | |
| SCHEMBL8069950 | 0.72 | MCL1 (0.40) | PARP1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8068495 | 0.71 | PARP1 (0.38) | PARP1ALDH1A1KDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0803501-B1 | Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors | SUMITOMO PHARMA (JP) | 2000-07-05 | — | — | EP | disclosed |
| EP-0803501-A1 | Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1997-10-29 | — | — | EP | disclosed |