Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.46 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.46 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.46 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | PTGFR | P43088 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2443724 | 0.91 | TP53 (0.47) | TP53SMN1; SMN2KCNQ3KCNQ2KCNE1 | |
| SCHEMBL2439755 | 0.85 | TP53 (0.66) | TP53SMN1; SMN2KCNQ3KCNQ2KCNE1 | |
| SCHEMBL2442819 | 0.83 | SMN1; SMN2 (0.45) | TP53SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL2440850 | 0.80 | TP53 (0.50) | TP53SMN1; SMN2MAPTAURKARPS6KB1 | |
| SCHEMBL2437046 | 0.78 | SMN1; SMN2 (0.52) | TP53SMN1; SMN2KCNQ3KCNQ2KCNE1 | |
| SCHEMBL2442014 | 0.78 | EPHX2 (0.47) | TP53SMN1; SMN2MAPTAURKARPS6KB1 | |
| SCHEMBL2439379 | 0.78 | SMN1; SMN2 (0.70) | TP53SMN1; SMN2MAPTPTGFRNPC1 | |
| SCHEMBL2442414 | 0.78 | TP53 (0.51) | TP53SMN1; SMN2MAPTHDAC1HDAC6 | |
| SCHEMBL2441620 | 0.78 | TP53 (0.49) | TP53SMN1; SMN2KCNQ3KCNQ2KCNE1 | |
| SCHEMBL2443373 | 0.77 | TP53 (0.50) | TP53SMN1; SMN2MAPTPTGFREPHX2 |
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-1893589-B1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2011-09-14 | — | — | EP | claimed |