Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1090962 | 0.83 | HDAC1 (0.48) | CA12CA1CA9CA2PSMB8 | |
| SCHEMBL6230442 | 0.83 | CA12 (0.47) | CA12CA1CA9CA2PSMB8 | |
| SCHEMBL3968727 | 0.76 | CA12 (0.48) | CA12CA1CA9PSMB8ACSS2 | |
| SCHEMBL5383433 | 0.74 | MEN1 (0.61) | CA12CA1CA9PSMB8ACSS2 | |
| SCHEMBL4636496 | 0.73 | LIPE (0.52) | PSMB8CYP17A1ALDH1A1GAANAMPT | |
| SCHEMBL28701306 | 0.73 | HTR2C (0.50) | CA12CA1CA9PSMB8HDAC1 | |
| SCHEMBL14079744 | 0.73 | LDHA (0.67) | ALDH1A1GAA | |
| SCHEMBL14554346 | 0.73 | TRPV1 (0.62) | ALDH1A1 | |
| SCHEMBL2055274 | 0.73 | LCK (0.52) | GAAMAP4K4 | |
| SCHEMBL16396248 | 0.73 | HDAC1 (0.48) | CA12CA1CA9PSMB8ACSS2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1527073-B1 | BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS | BAYER HEALTHCARE AG (DE) | 2007-08-22 | — | — | EP | disclosed |
| EP-1461335-B1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | BAYER HEALTHCARE AG (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1527073-A1 | BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS | Bayer HealthCare AG (DE) | 2005-05-04 | — | — | EP | disclosed |
| EP-1461335-A1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | Bayer HealthCare AG (DE) | 2004-09-29 | — | — | EP | disclosed |
| WO-2004013136-A1 | BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS | BAYER HEALTHCARE AG (DE) | 2004-02-12 | — | — | WO | disclosed |
| WO-2003055878-A1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | BAYER HEALTHCARE AG (DE) | 2003-07-10 | — | — | WO | disclosed |