Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 2/20 | 0.39 |
| ▸ | SGMS2 | Q8NHU3 | 13/20 | 0.39 |
| ▸ | SGMS1 | Q86VZ5 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | UGCG | Q16739 | 1/20 | 0.36 |
| ▸ | LCLAT1 | Q6UWP7 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL2442882 | 1.00 | KCNA5 (0.39) | KCNA5SGMS2SGMS1SMN1; SMN2MEN1 | |
| SCHEMBL2442656 | 0.82 | KCNA5 (0.40) | KCNA5SGMS2SGMS1SMN1; SMN2MEN1 | |
| SCHEMBL3560647 | 0.81 | KCNA5 (0.36) | KCNA5SGMS2SGMS1SMN1; SMN2MEN1 | |
| SCHEMBL2439003 | 0.81 | KDM4E (0.42) | KCNA5SGMS2SGMS1MAPTKMT2A | |
| SCHEMBL2438849 | 0.80 | SMN1; SMN2 (0.45) | KCNA5SMN1; SMN2MAPTKMT2AUGCG | |
| SCHEMBL2441287 | 0.80 | SMN1; SMN2 (0.43) | SGMS2SGMS1SMN1; SMN2UGCGLCLAT1 | |
| SCHEMBL2437982 | 0.80 | S1PR1 (0.49) | KCNA5SGMS2SGMS1SMN1; SMN2MEN1 | |
| SCHEMBL2440639 | 0.79 | SGMS2 (0.38) | KCNA5SGMS2SGMS1MAPTLCLAT1 | |
| SCHEMBL3560643 | 0.79 | SGMS2 (0.37) | KCNA5SGMS2SGMS1SMN1; SMN2 | |
| Cyclopropane SCHEMBL2442932 | 0.79 | SCN9A (0.37) | SGMS2SGMS1KMT2ALCLAT1KIT |
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 4 patents. 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 |
| EP-1893589-A1 | 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 | Grünenthal GmbH (DE) | 2008-03-05 | — | — | EP | claimed |
| WO-2006131296-A1 | 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 | Grünenthal GmbH (DE) | 2006-12-14 | — | — | WO | claimed |
| 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 | disclosed |