Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28877285 | 0.70 | EGFR (0.55) | SMN1; SMN2ALDH1A1ESR1KDM4EMAPT | |
| SCHEMBL8552083 | 0.70 | MEN1 (0.34) | SMN1; SMN2ALDH1A1ESR1NR1H2NR1H3 | |
| SCHEMBL8551923 | 0.69 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT | |
| SCHEMBL8552079 | 0.68 | SMN1; SMN2 (0.34) | SMN1; SMN2ALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL8551133 | 0.66 | NR1H2 (0.42) | ESR1NR1H2NR1H3MAPTADORA2A | |
| SCHEMBL1407266 | 0.63 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1NR1H2NR1H3KDM4E | |
| SCHEMBL1268020 | 0.62 | ESR1 (0.49) | SMN1; SMN2ALDH1A1ESR1NPSR1MAPT | |
| SCHEMBL14959329 | 0.62 | KDM4E (0.56) | SMN1; SMN2ALDH1A1ESR1NPSR1KDM4E | |
| SCHEMBL18936152 | 0.61 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL15913865 | 0.61 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTMEN1KMT2A |
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 |