Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | USP1 | O94782 | 1/20 | 0.32 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8554030 | 0.84 | SIGMAR1 (0.34) | CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10 | |
| SCHEMBL8549269 | 0.84 | HSD11B1 (0.34) | HSD11B1MEN1KMT2AHSD17B10PTPN1 | |
| SCHEMBL8372791 | 0.84 | KDR (0.35) | CYP1A2CYP2D6CYP2C19KMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL8551586 | 0.83 | KDR (0.34) | KMT2AKDR | |
| SCHEMBL8374822 | 0.81 | NPSR1 (0.39) | CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10 | |
| SCHEMBL8550319 | 0.80 | KDM4E (0.37) | CYP1A2CYP2D6CYP2C19MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8547376 | 0.80 | NPSR1 (0.39) | CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10 | |
| Hydrochloric Acid SCHEMBL8548628 | 0.79 | KDM4E (0.37) | CYP1A2CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL8552274 | 0.78 | PLAU (0.40) | HSD11B1 | |
| SCHEMBL8553998 | 0.78 | KDR (0.37) | CYP1A2CYP2C19MEN1KMT2ACYP3A4 |
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-0825187-A1 | Condensed pyridazinyl guanidines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |