Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12238637 | 0.80 | ADORA2A (0.58) | ADORA2ASMN1; SMN2HSPA9FDPSGAA | |
| SCHEMBL12963710 | 0.79 | SMN1; SMN2 (0.44) | ADORA2ASMN1; SMN2FDPSGAAALDH1A1 | |
| SCHEMBL21472632 | 0.77 | ADORA2A (0.49) | ADORA2ASMN1; SMN2HSPA9FDPSGAA | |
| SCHEMBL2170934 | 0.77 | — | — | |
| SCHEMBL12963536 | 0.76 | SMN1; SMN2 (0.45) | SMN1; SMN2GAAALDH1A1PKMMEN1 | |
| SCHEMBL11922537 | 0.76 | ADORA2A (0.43) | ADORA2ASMN1; SMN2FDPSGAAALDH1A1 | |
| SCHEMBL12932868 | 0.75 | SMN1; SMN2 (0.41) | ADORA2ASMN1; SMN2GAAALDH1A1PKM | |
| SCHEMBL648497 | 0.74 | NPC1 (0.50) | ADORA2ASMN1; SMN2ALDH1A1PKMMEN1 | |
| SCHEMBL5568640 | 0.74 | HRH3 (0.42) | SMN1; SMN2FDPSGAAALDH1A1MEN1 | |
| SCHEMBL11196251 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7868204-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2011-01-11 | — | — | US | disclosed |
| US-7595343-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2009-09-29 | — | — | US | disclosed |
| WO-2004069823-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2004-08-19 | — | — | WO | disclosed |
| WO-2003024448-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2003-03-27 | — | — | WO | disclosed |