Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | F9 | P00740 | 1/20 | 0.32 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8374822 | 0.90 | NPSR1 (0.39) | ALDH1A1KDRKDM4ETHRBNPSR1 | |
| Hydrochloric Acid SCHEMBL8547376 | 0.89 | NPSR1 (0.39) | ALDH1A1KDRKDM4ETHRBNPSR1 | |
| SCHEMBL8549269 | 0.86 | HSD11B1 (0.34) | KDRMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL8372791 | 0.86 | KDR (0.35) | ALDH1A1MAPK1KDRPLGCYP1A2 | |
| Hydrochloric Acid SCHEMBL8551586 | 0.85 | KDR (0.34) | KDRPLGMAPT | |
| SCHEMBL8552267 | 0.84 | HSD11B1 (0.38) | KDRKDM4ECYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8549372 | 0.83 | NPSR1 (0.39) | SIGMAR1ALDH1A1PLAUPLATKDR | |
| SCHEMBL8553998 | 0.80 | KDR (0.37) | ALDH1A1KDRKDM4ETHRBENPP3 | |
| SCHEMBL8549550 | 0.80 | KDR (0.44) | ALDH1A1KDRKDM4ENPSR1ENPP3 | |
| SCHEMBL8371540 | 0.78 | CCNE2 (0.32) | KDR |
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 |