Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | DRD3 | P35462 | 1/20 | 0.59 |
| ▸ | HTR2B | P41595 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL108678 | 0.89 | KDM4E (0.70) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL18029422 | 0.85 | ALDH1A1 (0.61) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL27903113 | 0.85 | KDM4E (0.59) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL2056152 | 0.84 | KDM4E (0.62) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL8170046 | 0.82 | KDM4E (0.62) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL19300219 | 0.81 | KDM4E (0.62) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL2316901 | 0.81 | CYP2D6 (0.82) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL19300185 | 0.81 | CYP2D6 (0.63) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL22005473 | 0.81 | KDM4E (0.62) | KDM4EHSD17B10CYP2D6MEN1USP2 | |
| SCHEMBL8286300 | 0.81 | KDM4E (0.62) | KDM4EHSD17B10CYP2D6MEN1USP2 |
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-0802196-B1 | Alkylenediamine derivatives as drugs for the treatment of ulcers and the inhibition of Helicobacter pylori | SHISEIDO CO LTD (JP) | 2001-08-29 | — | — | EP | disclosed |
| EP-0802196-A1 | Alkylenediamine derivative, antiulcer drug, and antibacterial drug | SHISEIDO COMPANY LIMITED (JP) | 1997-10-22 | — | — | EP | disclosed |