Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | F9 | P00740 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518196 | 0.89 | NPSR1 (0.39) | ALDH1A1KDRMAPTGAANPSR1 | |
| SCHEMBL8546406 | 0.88 | SMN1; SMN2 (0.36) | ALDH1A1KDRMAPTGAANPSR1 | |
| Hydrochloric Acid SCHEMBL8547922 | 0.88 | NPSR1 (0.39) | ALDH1A1KDRMAPTGAANPSR1 | |
| SCHEMBL8547661 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDRMAPTGAANPSR1 | |
| SCHEMBL8553709 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDRMAPTGAANPSR1 | |
| SCHEMBL8518058 | 0.82 | ADORA2A (0.36) | ALDH1A1KDRADORA2AMAPK1 | |
| SCHEMBL8547920 | 0.82 | ALDH1A1 (0.64) | ALDH1A1KDRMAPTGAANPSR1 | |
| Hydrochloric Acid SCHEMBL8546924 | 0.81 | ADORA2A (0.36) | KDRADORA2A | |
| SCHEMBL8552276 | 0.81 | KDR (0.43) | ALDH1A1KDRMAPTGAANPSR1 | |
| Hydrochloric Acid SCHEMBL8551921 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDRMAPTGAANPSR1 |
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 |