Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TTK | P33981 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 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 | |
|---|---|---|---|---|
| SCHEMBL8551547 | 0.86 | ALDH1A1 (0.48) | NPSR1ATMALDH1A1KDM4EGAA | |
| SCHEMBL8547192 | 0.86 | ALDH1A1 (0.48) | NPSR1ATMALDH1A1KDM4ERAB9A | |
| SCHEMBL8548611 | 0.82 | NPSR1 (0.64) | NPSR1ATMALDH1A1KDM4ENPC1 | |
| SCHEMBL8549626 | 0.81 | AR (0.42) | NPSR1ATMALDH1A1KDM4ENPC1 | |
| SCHEMBL8548460 | 0.81 | NPSR1 (0.62) | NPSR1ATMALDH1A1KDM4ENPC1 | |
| SCHEMBL31014280 | 0.81 | NPSR1 (0.62) | NPSR1ATMALDH1A1KDM4ENPC1 | |
| SCHEMBL8551583 | 0.81 | NPSR1 (0.62) | NPSR1ATMALDH1A1KDM4ENPC1 | |
| SCHEMBL32662859 | 0.77 | NPSR1 (0.62) | NPSR1ATMALDH1A1KDM4ENPC1 | |
| SCHEMBL8550886 | 0.77 | NPSR1 (0.57) | NPSR1ATMALDH1A1KDM4ENPC1 | |
| SCHEMBL8551517 | 0.77 | NPSR1 (0.57) | NPSR1ATMALDH1A1KDM4ENPC1 |
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 |