Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7379834 | 0.81 | CYP2C19 (0.37) | HTTALDH1A1TSHRL3MBTL1CYP2C19 | |
| SCHEMBL7380886 | 0.74 | TPMT (0.34) | ALDH1A1CYP2C19CYP1A2KDM4ELMNA | |
| SCHEMBL7417348 | 0.74 | EPHX1 (0.33) | KMT2AMEN1L3MBTL1CYP2C19 | |
| SCHEMBL7562318 | 0.74 | PARP1 (0.46) | L3MBTL1CYP2C19GAA | |
| SCHEMBL7411776 | 0.73 | CYP1A2 (0.41) | ALDH1A1KMT2AMEN1L3MBTL1CYP2C19 | |
| SCHEMBL7380161 | 0.71 | TNF (0.39) | HTTTSHRL3MBTL1CYP2C19KDM4E | |
| SCHEMBL7385340 | 0.70 | KDM4E (0.39) | ALDH1A1KMT2AL3MBTL1CYP2C19CYP1A2 | |
| SCHEMBL7386503 | 0.70 | CES2 (0.41) | ALDH1A1GAA | |
| SCHEMBL7382377 | 0.68 | SIRT3 (0.33) | HTT | |
| SCHEMBL7414697 | 0.68 | HTT (0.31) | HTTKMT2AMEN1L3MBTL1KDM4E |
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-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |