Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL14718410 | 0.80 | BRD4 (0.31) | FAAHTP53MAPTPTGS2 | |
| SCHEMBL6902724 | 0.80 | GPR55 (0.36) | SMN1; SMN2TDP1FAAHPOLBMAPT | |
| SCHEMBL1659866 | 0.79 | GPR55 (0.39) | TDP1KDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL1659820 | 0.79 | GPR55 (0.34) | TDP1MAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL1659828 | 0.78 | CRHR1 (0.33) | POLB | |
| SCHEMBL1661537 | 0.76 | GPR55 (0.32) | — | |
| SCHEMBL14727729 | 0.74 | F2 (0.34) | MAPTPTGS2 | |
| SCHEMBL1660633 | 0.73 | SLC6A4 (0.40) | SMN1; SMN2TP53MAPTMEN1KMT2A | |
| SCHEMBL14727857 | 0.73 | AR (0.38) | SMN1; SMN2KDM4E | |
| SCHEMBL6904005 | 0.73 | CYP3A4 (0.39) | MEN1KMT2ACYP3A4GAA |
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 |