Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.38 |
| ▸ | CA1 | P00915 | 9/20 | 0.38 |
| ▸ | CA9 | Q16790 | 9/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA6 | P23280 | 3/20 | 0.37 |
| ▸ | CA5A | P35218 | 3/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15351296 | 0.72 | TRPA1 (0.34) | — | |
| SCHEMBL1923737 | 0.70 | CYP1A2 (0.33) | CA2CA1CA9CA7 | |
| SCHEMBL7020118 | 0.68 | — | — | |
| SCHEMBL4776503 | 0.66 | MAPT (0.38) | MAPK1 | |
| SCHEMBL6694442 | 0.66 | HTR1A (0.34) | — | |
| SCHEMBL24576369 | 0.64 | CA2 (0.37) | CA2CA1CA9CA12CA6 | |
| SCHEMBL31386852 | 0.64 | CA2 (0.37) | CA2CA1CA9CA12CA6 | |
| SCHEMBL7784275 | 0.64 | NOTUM (0.36) | PNMT | |
| SCHEMBL10808580 | 0.64 | CA2 (0.52) | CA2CA1CA9CA12CA6 | |
| SCHEMBL5060888 | 0.63 | ALDH1A1 (0.40) | MAPK1 |
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 |