Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Benzothiophene SCHEMBL17443004 | 0.98 | CYP2A6 (0.41) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| Benz(B)Anthracene SCHEMBL29132953 | 0.98 | CYP2A6 (0.41) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| Benzothiophene SCHEMBL29415494 | 0.92 | — | — | |
| Benzothiophene SCHEMBL451494 | 0.92 | — | — | |
| Benzothiophene SCHEMBL28399890 | 0.92 | CA12 (0.42) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| Benzothiophene SCHEMBL28545602 | 0.92 | CA12 (0.42) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| Benzothiophene SCHEMBL29383883 | 0.92 | — | — | |
| Benzothiophene SCHEMBL7023 | 0.92 | — | — | |
| Benzothiophene SCHEMBL253491 | 0.92 | CA12 (0.42) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| Benzothiophene SCHEMBL27873783 | 0.92 | CA12 (0.42) | CYP2A6CTNNB1WNT3ACA12CA2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003526594-A | — | — | 2003-09-09 | — | — | JP | claimed |
| EP-0996434-A4 | KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH | ADOLOR CORP (US) | 2001-10-10 | — | — | EP | claimed |
| EP-0996434-A1 | KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH | Adolor Corporation (US) | 2000-05-03 | — | — | EP | claimed |
| WO-1999003459-A1 | KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH | ADOLOR CORPORATION (US) | 1999-01-28 | — | — | WO | claimed |
| CN-101391992-A | Substituted anthracene benzothiophene compounds and preparation method and use thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2009-03-25 | — | — | CN | disclosed |
| CN-101391992-A | Substituted anthracene benzothiophene compounds and preparation method and use thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2009-03-25 | — | — | CN | disclosed |
| CN-101391992-A | Substituted anthracene benzothiophene compounds and preparation method and use thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2009-03-25 | — | — | CN | disclosed |