Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | GPR68 | Q15743 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.45 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8547799 | 0.88 | KMT2A (0.43) | ATMNPSR1ARMAPTHPGD | |
| SCHEMBL8548686 | 0.83 | LRRK2 (0.49) | NPSR1ARMAPTHPGDKMT2A | |
| SCHEMBL6850338 | 0.79 | MAPT (0.54) | GPR68MAPTHPGDKMT2AMEN1 | |
| SCHEMBL8548611 | 0.77 | NPSR1 (0.64) | ATMNPSR1MAPTHPGDKMT2A | |
| SCHEMBL31014280 | 0.76 | NPSR1 (0.62) | ATMNPSR1ARHPGDKMT2A | |
| SCHEMBL8551583 | 0.76 | NPSR1 (0.62) | ATMNPSR1ARHPGDKMT2A | |
| SCHEMBL8549237 | 0.76 | NPSR1 (0.62) | ATMNPSR1MAPTHPGDKMT2A | |
| SCHEMBL8548460 | 0.76 | NPSR1 (0.62) | ATMNPSR1MAPTHPGDKMT2A | |
| SCHEMBL8548778 | 0.74 | KMT2A (0.47) | NPSR1MAPTHPGDKMT2AMEN1 | |
| SCHEMBL4065593 | 0.74 | ALDH1A1 (0.54) | NPSR1ARMAPTHPGDKMT2A |
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 |