Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TTK | P33981 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.43 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8551845 | 0.89 | ROCK2 (0.48) | NPSR1ATMROCK2NAMPTAR | |
| SCHEMBL8548542 | 0.87 | ROCK2 (0.47) | NPSR1ATMROCK2NAMPTAR | |
| SCHEMBL8548611 | 0.78 | NPSR1 (0.64) | NPSR1ATMROCK2KDM4EALDH1A1 | |
| SCHEMBL1407075 | 0.78 | ALDH1A1 (0.49) | NPSR1ATMROCK2NAMPTKDM4E | |
| SCHEMBL8551923 | 0.78 | ALDH1A1 (0.43) | NPSR1ATMROCK2NAMPTAR | |
| SCHEMBL3707918 | 0.78 | ROCK2 (0.57) | NPSR1ATMROCK2NAMPTAR | |
| SCHEMBL31014280 | 0.77 | NPSR1 (0.62) | NPSR1ATMROCK2ARKDM4E | |
| SCHEMBL8548460 | 0.77 | NPSR1 (0.62) | NPSR1ATMROCK2KDM4EALDH1A1 | |
| SCHEMBL8549237 | 0.77 | NPSR1 (0.62) | NPSR1ATMROCK2KDM4EALDH1A1 | |
| SCHEMBL8551583 | 0.77 | NPSR1 (0.62) | NPSR1ATMROCK2ARKDM4E |
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 |