Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.60 |
| ▸ | PTGDR2 | Q9Y5Y4 | 13/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4188918 | 0.84 | HDAC2 (0.50) | HDAC2PTGDR2MEN1KMT2A | |
| SCHEMBL23303315 | 0.78 | HDAC2 (0.55) | HDAC2PTGDR2SMN1; SMN2CYP2C19NPC1 | |
| SCHEMBL13739501 | 0.78 | HDAC2 (0.55) | HDAC2PTGDR2SMN1; SMN2CYP2C19NPC1 | |
| SCHEMBL4180010 | 0.76 | HDAC2 (0.48) | HDAC2PTGDR2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15481144 | 0.75 | HDAC2 (1.00) | HDAC2 | |
| SCHEMBL9572627 | 0.75 | MEN1 (0.57) | HDAC2PTGDR2SMN1; SMN2CYP2C19NPC1 | |
| SCHEMBL9218512 | 0.75 | MEN1 (0.59) | HDAC2SMN1; SMN2CYP2C19NPC1RAB9A | |
| SCHEMBL4179970 | 0.75 | HDAC2 (0.52) | HDAC2SMN1; SMN2CYP2C19NPC1RAB9A | |
| SCHEMBL1813588 | 0.73 | SMN1; SMN2 (0.55) | HDAC2PTGDR2SMN1; SMN2CYP2C19NPC1 | |
| SCHEMBL7311393 | 0.72 | MEN1 (0.59) | HDAC2SMN1; SMN2CYP2C19NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008150848-A1 | ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS | WYETH (US) | 2008-12-11 | — | — | WO | disclosed |