Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR1F | P30939 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2443047 | 0.91 | TP53 (0.46) | TP53SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL2440718 | 0.81 | SMN1; SMN2 (0.46) | TP53SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL2437675 | 0.81 | HTR1F (0.48) | TP53SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL2439515 | 0.81 | TP53 (0.48) | TP53SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL2438649 | 0.81 | SMN1; SMN2 (0.54) | TP53SMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL2439379 | 0.80 | SMN1; SMN2 (0.70) | TP53SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL2442014 | 0.78 | EPHX2 (0.47) | TP53SMN1; SMN2MAPTLMNAKMT2A | |
| SCHEMBL2442206 | 0.77 | TP53 (0.54) | TP53SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL2443373 | 0.77 | TP53 (0.50) | TP53SMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL2437385 | 0.77 | SMN1; SMN2 (0.49) | TP53SMN1; SMN2NPC1RAB9AALDH1A1 |
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 |