Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 6/20 | 0.36 |
| ▸ | KIT | P10721 | 4/20 | 0.36 |
| ▸ | FLT3 | P36888 | 4/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.36 |
| ▸ | MAP4K2 | Q12851 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.36 |
| ▸ | MET | P08581 | 3/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 2/20 | 0.36 |
| ▸ | CSF1R | P07333 | 2/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.36 |
| ▸ | PRKACA | P17612 | 2/20 | 0.36 |
| ▸ | LTK | P29376 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2467788 | 0.85 | KCNA5 (0.41) | DHFREGFRKCNA5KDRKIT | |
| SCHEMBL2480145 | 0.83 | HIF1A (0.37) | DHFREGFRKCNA5KDRKIT | |
| SCHEMBL1781983 | 0.82 | KDR (0.50) | KCNA5KDRKITFLT3FGFR1 | |
| SCHEMBL2441217 | 0.77 | FAAH (0.45) | KCNA5RPS6KB1TLR8 | |
| SCHEMBL1782232 | 0.72 | KDR (0.46) | KDRKITFLT3FGFR1MAP4K2 | |
| SCHEMBL31432578 | 0.72 | KDR (0.46) | KCNA5KDRKITFLT3FGFR1 | |
| SCHEMBL30595387 | 0.71 | KDR (0.40) | DHFREGFRKDRKITFLT3 | |
| SCHEMBL2439957 | 0.70 | TSHR (0.51) | KCNA5TSHR | |
| SCHEMBL2438937 | 0.68 | TLR7 (0.36) | TLR8LTB4R | |
| SCHEMBL2467786 | 0.68 | HIF1A (0.40) | KCNA5KDRKITFLT3FGFR1 |
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 |