Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5165610 | 0.90 | HDAC1 (0.38) | GRM2HDAC2HDAC1CYP17A1MAP4K4 | |
| SCHEMBL5166592 | 0.85 | MAPT (0.45) | KDM4EALDH1A1TP53NPC1RAB9A | |
| SCHEMBL5165409 | 0.73 | IKBKB (0.46) | MAP4K4MEN1KMT2AIKBKBJAK2 | |
| SCHEMBL3491801 | 0.70 | L3MBTL1 (0.44) | KDM4EALDH1A1NPC1RAB9AL3MBTL1 | |
| SCHEMBL3494188 | 0.70 | MAPT (0.42) | KDM4EALDH1A1TP53NPC1RAB9A | |
| SCHEMBL30059279 | 0.70 | CYP17A1 (0.54) | HDAC2HDAC1CYP17A1MAP4K4 | |
| SCHEMBL197036 | 0.70 | CYP17A1 (0.54) | HDAC2HDAC1CYP17A1MAP4K4 | |
| SCHEMBL5430509 | 0.68 | IKBKB (0.52) | KDM4EALDH1A1TP53NPC1HPGD | |
| SCHEMBL3497629 | 0.68 | ABCC1 (0.55) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL20376353 | 0.68 | ALDH1A1 (0.55) | GRM2KDM4EALDH1A1NPC1KMT2A |
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-1532135-A4 | NF-KB INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-11-09 | — | — | EP | disclosed |
| EP-1532135-A1 | NF-KB INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2003104219-A1 | NF-KB INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-12-18 | — | — | WO | disclosed |