Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 9/20 | 0.48 |
| ▸ | NPC1 | O15118 | 8/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12491653 | 0.81 | NLRP3 (0.49) | NLRP3TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL12852006 | 0.78 | NLRP3 (0.56) | NLRP3RAB9ANPC1SMN1; SMN2TSHR | |
| SCHEMBL20267305 | 0.76 | TSHR (0.46) | SMN1; SMN2TSHRCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31716404 | 0.72 | NLRP3 (0.43) | NLRP3RAB9ANPC1SMN1; SMN2TSHR | |
| SCHEMBL12481786 | 0.72 | TSHR (0.60) | RAB9ANPC1SMN1; SMN2TSHRCYP1A2 | |
| SCHEMBL28433114 | 0.71 | HDAC4 (0.59) | RAB9ANPC1SMN1; SMN2TSHRCYP1A2 | |
| SCHEMBL23812921 | 0.71 | NLRP3 (0.56) | NLRP3RAB9ANPC1MAPK1ALDH1A1 | |
| SCHEMBL3992206 | 0.71 | NLRP3 (0.56) | NLRP3RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL3715054 | 0.71 | NLRP3 (0.48) | NLRP3RAB9ANPC1TSHRCYP1A2 | |
| SCHEMBL23731345 | 0.70 | NLRP3 (0.52) | NLRP3RAB9AALDH1A1 |
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-2970272-A1 | GLYCOSIDASE INHIBITORS | Merck Patent GmbH (DE) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014159234-A1 | GLYCOSIDASE INHIBITORS | MERCK PATENT GMBH (DE) | 2014-10-02 | — | — | WO | disclosed |