Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.51 |
| ▸ | TP53 | P04637 | 8/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.42 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.42 |
| ▸ | KCNMA1 | Q12791 | 3/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2438693 | 0.90 | TP53 (0.51) | SMN1; SMN2TP53MAPTTSHRNPC1 | |
| SCHEMBL2441870 | 0.75 | SMN1; SMN2 (0.52) | SMN1; SMN2TP53MAPTTSHRNPC1 | |
| SCHEMBL2440561 | 0.73 | SMN1; SMN2 (0.53) | SMN1; SMN2TP53MAPTTSHRNPC1 | |
| SCHEMBL2439106 | 0.72 | SMN1; SMN2 (0.58) | SMN1; SMN2TP53MAPTNPC1RAB9A | |
| SCHEMBL2437978 | 0.72 | SMN1; SMN2 (0.51) | SMN1; SMN2TP53MAPTNPC1RAB9A | |
| SCHEMBL2440202 | 0.72 | SMN1; SMN2 (0.68) | SMN1; SMN2TP53MAPTNPC1RAB9A | |
| SCHEMBL2442414 | 0.72 | TP53 (0.51) | SMN1; SMN2TP53MAPTTSHRNPC1 | |
| SCHEMBL2437851 | 0.71 | TP53 (0.56) | SMN1; SMN2TP53MAPTNPC1RAB9A | |
| SCHEMBL23121116 | 0.71 | SMN1; SMN2 (0.47) | SMN1; SMN2TP53MAPTTSHRRAB9A | |
| SCHEMBL2440155 | 0.71 | SMN1; SMN2 (0.52) | SMN1; SMN2TP53MAPTNPC1RAB9A |
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 |