Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12963550 | 0.85 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2POLBHTT | |
| SCHEMBL8352583 | 0.79 | RAB9A (0.59) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL12519914 | 0.77 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL12933353 | 0.75 | RAB9A (0.51) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7319086 | 0.73 | TP53 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL12705 | 0.72 | — | — | |
| SCHEMBL12626 | 0.71 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL11918957 | 0.70 | CXCR4 (0.38) | CYP1A2LMNAALDH1A1GAA | |
| SCHEMBL3427885 | 0.69 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL14034348 | 0.68 | BMP1 (0.45) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7868204-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2011-01-11 | — | — | US | disclosed |
| US-7838520-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2010-11-23 | — | — | US | disclosed |