Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14730955 | 0.89 | PTGDR2 (0.33) | SMN1; SMN2PTGDR2RORCGCGRSCN9A | |
| SCHEMBL1660640 | 0.89 | PTGDR2 (0.33) | SMN1; SMN2PTGDR2RORCGCGRSCN9A | |
| SCHEMBL14717976 | 0.89 | SMN1; SMN2 (0.33) | SMN1; SMN2PTGDR2LMNARORCGCGR | |
| SCHEMBL1660442 | 0.89 | SMN1; SMN2 (0.33) | SMN1; SMN2PTGDR2RORCGCGRSCN9A | |
| SCHEMBL14717940 | 0.88 | PTGDR2 (0.33) | SMN1; SMN2PTGDR2RORCGCGRSCN9A | |
| SCHEMBL14718104 | 0.88 | PTGDR2 (0.36) | SMN1; SMN2PTGDR2RORCMAPK14NR3C1 | |
| SCHEMBL14718229 | 0.88 | POLB (0.38) | SMN1; SMN2PTGDR2SCN9A | |
| SCHEMBL14717715 | 0.81 | PTGS2 (0.34) | PTGS2SCN9A | |
| SCHEMBL14717156 | 0.81 | SCN9A (0.37) | SCN9A | |
| SCHEMBL14718164 | 0.79 | LMNA (0.35) | SMN1; SMN2ALDH1A1LMNANPSR1RORC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011046774-A1 | DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-04-21 | — | — | WO | disclosed |