Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8653130 | 0.74 | CYP1A2 (0.48) | DHFRKIF11NOS3NOS1NOS2 | |
| SCHEMBL18244029 | 0.73 | HSPA5 (0.39) | BACE1RXRARXRBHSPA5NOS3 | |
| SCHEMBL510002 | 0.72 | HSPA5 (0.33) | HSPA5MEN1GAAKMT2ATSHR | |
| SCHEMBL7049181 | 0.69 | GABRA1 (0.42) | BACE1HSPA5MEN1GAAKMT2A | |
| SCHEMBL4629908 | 0.67 | TRPA1 (0.45) | HSD17B3BACE1HSPA5MEN1GAA | |
| SCHEMBL444673 | 0.66 | TRPA1 (0.48) | DHFRBACE1KIF11NOS3NOS1 | |
| SCHEMBL29706450 | 0.65 | CYP1A2 (0.52) | KIF11GAATP53 | |
| SCHEMBL5682912 | 0.65 | CYP1A2 (0.52) | KIF11GAATP53 | |
| SCHEMBL21248672 | 0.64 | NPC1 (0.40) | BACE1TP53 | |
| SCHEMBL28143685 | 0.64 | BACE1 (0.37) | BACE1HSPA5NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2284169-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-03-14 | — | — | EP | disclosed |