Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22734551 | 0.86 | NLRP3 (0.34) | NLRP3NR3C1RAB9AGSTO1ALDH1A1 | |
| Trimethylammonium SCHEMBL22734668 | 0.85 | NLRP3 (0.33) | NLRP3 | |
| Trimethylammonium SCHEMBL22734536 | 0.81 | MAPT (0.38) | NLRP3ALDH1A1KDM4EKMT2A | |
| Trimethylammonium SCHEMBL22734514 | 0.81 | RORA (0.46) | NLRP3NR3C1RAB9AGSTO1ACLY | |
| SCHEMBL22734548 | 0.75 | GAA (0.49) | RAB9AALDH1A1KMT2A | |
| SCHEMBL22734619 | 0.70 | NLRP3 (0.34) | NLRP3 | |
| Trimethylammonium SCHEMBL22734573 | 0.69 | KMT2A (0.37) | NLRP3ALDH1A1KMT2A | |
| Trimethylammonium SCHEMBL22734552 | 0.69 | MAPT (0.37) | NLRP3ALDH1A1KDM4EKMT2A | |
| SCHEMBL22734676 | 0.68 | ALDH1A1 (0.37) | NLRP3ALDH1A1KDM4EKMT2A | |
| SCHEMBL22734597 | 0.68 | RORA (0.46) | NLRP3NR3C1RAB9AGSTO1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200386767-A1 | Analytical method and apparatus using fingerprints on the basis of types in expression levels of express trace proteins and/or peptides contained in living tissue and/or biological fluid | SHINWA CHEMICAL INDUSTRIES LTD. (JP) | 2020-12-10 | — | — | US | disclosed |
| US-8796037-B2 | Method of detection, separation and identification for expressed trace protein/peptide | IMAI KAZUHIRO (JP) | 2014-08-05 | — | — | US | disclosed |
| US-20080280316-A1 | Mass spectrometry; liquid chromatography; automatic fractionation | IMAI KAZUHIRO | 2008-11-13 | — | — | US | disclosed |