Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | DUSP1 | P28562 | 1/20 | 0.41 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6984434 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL6269116 | 0.77 | GPR3 (0.50) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL7208939 | 0.72 | BCHE (0.58) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL7208945 | 0.72 | BCHE (0.58) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL3702163 | 0.67 | CYP19A1 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL3698539 | 0.67 | CYP19A1 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL9165216 | 0.67 | CYP19A1 (0.56) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL13191831 | 0.67 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL3698540 | 0.67 | CYP19A1 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 | |
| SCHEMBL1720443 | 0.66 | CYP19A1 (0.81) | CYP1A2CYP2C19CYP2C9CYP2D6DUSP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1085872-A4 | INHIBITORS OF TRANSCRIPTION FACTOR NF-$g(k)B | SMITHKLINE BEECHAM CORP (US) | 2003-04-16 | — | — | EP | disclosed |
| EP-1085872-A1 | INHIBITORS OF TRANSCRIPTION FACTOR NF-$g(k)B | SMITHKLINE BEECHAM CORPORATION (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999065495-A1 | INHIBITORS OF TRANSCRIPTION FACTOR NF-λB | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-23 | — | — | WO | disclosed |