Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | 0.89 | NPSR1 (0.39) | KDRSMN1; SMN2ENPP3MAPTALDH1A1 | |
| SCHEMBL8549550 | 0.88 | KDR (0.44) | KDRSMN1; SMN2ENPP3MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL8547376 | 0.88 | NPSR1 (0.39) | KDRSMN1; SMN2ENPP3MAPTALDH1A1 | |
| SCHEMBL8553708 | 0.86 | LMNA (0.35) | KDRSMN1; SMN2LMNAENPP3MAPT | |
| SCHEMBL8546406 | 0.85 | SMN1; SMN2 (0.36) | KDRSMN1; SMN2LMNAENPP3MAPT | |
| SCHEMBL8372825 | 0.82 | ENPP3 (0.33) | ENPP3ALDH1A1 | |
| SCHEMBL8552079 | 0.81 | SMN1; SMN2 (0.34) | KDRSMN1; SMN2LMNAENPP3MAPT | |
| Hydrochloric Acid SCHEMBL8552090 | 0.81 | ENPP3 (0.32) | ENPP3ALDH1A1 | |
| SCHEMBL8371540 | 0.81 | CCNE2 (0.32) | KDR | |
| SCHEMBL8551148 | 0.80 | ENPP3 (0.38) | KDRSMN1; SMN2LMNAENPP3MAPT |
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 |