Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4630145 | 0.89 | NPSR1 (0.31) | — | |
| SCHEMBL4630397 | 0.79 | CTSK (0.41) | CA1CA2L3MBTL1 | |
| SCHEMBL4630539 | 0.78 | NPSR1 (0.33) | CA2CA12CA9 | |
| SCHEMBL2639869 | 0.73 | ALDH1A1 (0.38) | CA1CA2CA12CA9 | |
| SCHEMBL27731604 | 0.72 | CA1 (0.33) | CA1CA2CA12CA9 | |
| SCHEMBL4630146 | 0.71 | — | — | |
| SCHEMBL715894 | 0.70 | — | — | |
| SCHEMBL19052251 | 0.70 | — | — | |
| SCHEMBL4757299 | 0.69 | CHRNB2 (0.40) | — | |
| SCHEMBL6829278 | 0.69 | POLB (0.45) | CA1CA2CA12CA9 |
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 |