Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPY1R | P25929 | 1/20 | 0.44 |
| ▸ | NPY2R | P49146 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6579635 | 0.86 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL8548420 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL8549820 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL11285747 | 0.80 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL27586569 | 0.80 | ALDH1A1 (0.71) | ALDH1A1TSHRMAPTTP53MEN1 | |
| Isobutyl 2-Aminobenzoate SCHEMBL1532440 | 0.80 | ALDH1A1 (0.77) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL7059492 | 0.79 | ALDH1A1 (0.76) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL8007082 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL8547913 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL226501 | 0.78 | ALDH1A1 (0.86) | ALDH1A1TSHRMAPTTP53MEN1 |
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 |