Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | OXTR | P30559 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 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 | |
|---|---|---|---|---|
| SCHEMBL4714707 | 0.79 | NPC1 (0.35) | L3MBTL1CYP19A1NPC1 | |
| SCHEMBL715027 | 0.79 | NPC1 (0.42) | CYP2A6PIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL27574023 | 0.78 | LOXL2 (0.45) | PKM | |
| SCHEMBL38239 | 0.77 | OXTR (0.35) | CYP2A6OXTRNPC1 | |
| SCHEMBL6616393 | 0.76 | KMT2A (0.46) | L3MBTL1MEN1KMT2ANPC1 | |
| SCHEMBL17504881 | 0.75 | IDO1 (0.41) | CYP19A1ATR | |
| SCHEMBL31174412 | 0.75 | CYP2A6 (0.68) | CYP2A6HSD17B1HSD17B2MKNK1MKNK2 | |
| SCHEMBL3754419 | 0.75 | CYP2A6 (0.68) | CYP2A6HSD17B1HSD17B2MKNK1MKNK2 | |
| SCHEMBL1422182 | 0.74 | HSD17B1 (0.67) | CYP2A6HSD17B1HSD17B2MKNK1MKNK2 | |
| SCHEMBL4274541 | 0.74 | JAK2 (0.48) | CYP2A6HSD17B1HSD17B2MKNK1MKNK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011151436-A2 | NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM | EUROSCREEN S.A. (BE) | 2011-12-08 | — | — | WO | disclosed |
| EP-1861365-A1 | N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS | Nycomed GmbH (DE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006097474-A1 | N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS | NYCOMED GMBH (DE) | 2006-09-21 | — | — | WO | disclosed |