Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.33 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL14727791 | 0.85 | CYP3A4 (0.35) | CYP3A4CYP2D6LTA4HMMP13MMP14 | |
| SCHEMBL6902724 | 0.83 | GPR55 (0.36) | MEN1KMT2ALMNA | |
| SCHEMBL14717787 | 0.83 | CYP3A4 (0.33) | CYP3A4CYP2D6LTA4HMMP13MMP14 | |
| SCHEMBL1659820 | 0.82 | GPR55 (0.34) | CYP3A4CXCR1 | |
| SCHEMBL1659866 | 0.82 | GPR55 (0.39) | CYP3A4CXCR1 | |
| SCHEMBL1659828 | 0.81 | CRHR1 (0.33) | — | |
| SCHEMBL1661537 | 0.79 | GPR55 (0.32) | — | |
| SCHEMBL6902469 | 0.73 | SMN1; SMN2 (0.32) | CYP3A4MEN1KMT2AGAA | |
| SCHEMBL6904266 | 0.72 | HRH3 (0.42) | LTA4HHRH3MEN1KMT2A | |
| SCHEMBL6902723 | 0.69 | SCN9A (0.35) | LTA4HLMNABACE1 |
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 |