Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 7/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.30 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1661829 | 0.82 | KCNN4 (0.33) | KCNN4SCN9ACRHR1PTGS2 | |
| SCHEMBL14718267 | 0.80 | KCNN4 (0.32) | KCNN4SCN9AOPRM1OPRL1 | |
| SCHEMBL14717678 | 0.79 | FAAH (0.36) | ALDH1A1FAAHSCN9AMMP2MMP9 | |
| SCHEMBL14717916 | 0.79 | OPRM1 (0.33) | FAAHSCN9AMMP2MMP9MMP3 | |
| SCHEMBL14727862 | 0.79 | MMP2 (0.35) | MEN1KMT2AFAAHSCN9AMMP2 | |
| SCHEMBL1660271 | 0.78 | SCN9A (0.30) | SCN9A | |
| SCHEMBL1660659 | 0.78 | P2RY14 (0.35) | SCN9A | |
| SCHEMBL1659975 | 0.78 | MMP2 (0.35) | SCN9AMMP2MMP9MMP3MMP8 | |
| SCHEMBL6902269 | 0.78 | P2RY14 (0.33) | SCN9AMMP2MMP9MMP3MMP8 | |
| SCHEMBL14717826 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2488031-A1 | DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-08-22 | — | — | EP | claimed |
| WO-2011046774-A1 | DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-04-21 | — | — | WO | claimed |