Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | PTGFR | P43088 | 2/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2438649 | 0.87 | SMN1; SMN2 (0.54) | TP53SMN1; SMN2EGFRP2RX1ALDH1A1 | |
| SCHEMBL2439379 | 0.84 | SMN1; SMN2 (0.70) | TP53SMN1; SMN2PTGFRALDH1A1MAPT | |
| SCHEMBL2442014 | 0.82 | EPHX2 (0.47) | TP53SMN1; SMN2TMPRSS4EGFRERBB2 | |
| SCHEMBL2442819 | 0.80 | SMN1; SMN2 (0.45) | TP53SMN1; SMN2TMPRSS4EGFRERBB2 | |
| SCHEMBL2442206 | 0.79 | TP53 (0.54) | TP53SMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL2440718 | 0.79 | SMN1; SMN2 (0.46) | TP53SMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL2437675 | 0.79 | HTR1F (0.48) | TP53SMN1; SMN2ALDH1A1MAPTGPR35 | |
| SCHEMBL2445677 | 0.77 | TP53 (0.47) | TP53SMN1; SMN2PTGFREPHX2MAPT | |
| SCHEMBL2444087 | 0.77 | TP53 (0.46) | TP53SMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL2440850 | 0.75 | TP53 (0.50) | TP53SMN1; SMN2TMPRSS4EPHX2MAPT |
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 |