Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | IAPP | P10997 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | ESRRB | O95718 | 1/20 | 0.34 |
| ▸ | ESRRA | P11474 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7049181 | 0.80 | GABRA1 (0.42) | TRPA1BACE1HSPA5ALOX15MEN1 | |
| SCHEMBL5195249 | 0.77 | ALOX15 (0.50) | TRPA1BACE1HSPA5ALOX15ALOX12 | |
| SCHEMBL2174289 | 0.77 | TRPA1 (0.48) | TRPA1BACE1HSPA5ALOX15ALOX12 | |
| SCHEMBL992788 | 0.76 | TRPA1 (0.46) | TRPA1BACE1HSPA5ALOX15ALOX12 | |
| SCHEMBL1988566 | 0.76 | TRPA1 (0.46) | TRPA1BACE1HSPA5ALOX15ALOX12 | |
| SCHEMBL510002 | 0.76 | HSPA5 (0.33) | HSPA5MEN1GAAKMT2A | |
| SCHEMBL5678559 | 0.75 | TRPA1 (0.42) | TRPA1BACE1HSPA5ALOX15ALOX12 | |
| SCHEMBL1187136 | 0.74 | TRPA1 (0.45) | TRPA1BACE1HSPA5ALOX15ALOX12 | |
| SCHEMBL27351642 | 0.74 | TRPA1 (0.45) | TRPA1BACE1HSPA5ALOX15ALOX12 | |
| SCHEMBL581480 | 0.74 | GABRA1 (0.52) | TRPA1BACE1HSPA5ALOX15ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |