Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 3/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.42 |
| ▸ | TUBB | P07437 | 2/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8068336 | 0.79 | BRD4 (0.49) | ALDH1A1AURKAMAPK10RIPK1BRD4 | |
| SCHEMBL8074787 | 0.76 | MTNR1A (0.45) | ALDH1A1MAP3K5AURKAMAPK10RIPK1 | |
| SCHEMBL11630902 | 0.76 | ALDH1A1 (0.60) | ALDH1A1GAAMAPK10MAPTKDM4E | |
| SCHEMBL8059219 | 0.74 | KDM4E (0.44) | ALDH1A1GAAAURKAMAPK10RIPK1 | |
| SCHEMBL5002514 | 0.72 | PARP1 (0.59) | PARP1 | |
| SCHEMBL24074529 | 0.72 | KDM4E (0.48) | ALDH1A1MAP3K5MAPTKDM4EHTR6 | |
| SCHEMBL7566334 | 0.72 | MAPT (0.53) | ALDH1A1MAP3K5MAPTKDM4EHTR6 | |
| SCHEMBL8070000 | 0.72 | PARP1 (0.50) | ALDH1A1GAAPARP1MAPTKDM4E | |
| SCHEMBL24073034 | 0.72 | NPC1 (0.48) | ALDH1A1GAAMAP3K5MAPTNPSR1 | |
| SCHEMBL8070221 | 0.72 | MEN1 (0.48) | ALDH1A1GAAMAPTKDM4EHSD17B10 |
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 |