Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CNR2 | P34972 | 8/20 | 0.44 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 4/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 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 | |
|---|---|---|---|---|
| SCHEMBL27811117 | 0.86 | CA12 (0.65) | CA12CA1CA2CA9CNR2 | |
| SCHEMBL28787809 | 0.78 | CA12 (0.48) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL28507558 | 0.71 | DYRK1A (0.75) | CA12CA1CA2CA9CNR2 | |
| SCHEMBL27811234 | 0.69 | MAPT (0.44) | CA12CA1CA2CA9MAPT | |
| SCHEMBL28641161 | 0.69 | CNR2 (0.55) | CNR2ABCC2CNR1 | |
| SCHEMBL30040021 | 0.69 | CNR2 (0.55) | CNR2ABCC2CNR1 | |
| SCHEMBL209212 | 0.69 | TLR8 (0.45) | CA12CA1CA2CA9 | |
| Iodide SCHEMBL27771052 | 0.68 | CNR2 (0.48) | CNR2ABCC2CNR1ALDH1A1MAPT | |
| SCHEMBL9236079 | 0.68 | CDC25A (0.70) | CNR2CNR1 | |
| SCHEMBL27811239 | 0.67 | CA12 (0.72) | CA12CA1CA2CA9SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102093341-B | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2013-07-24 | — | — | CN | disclosed |
| CN-102093341-A | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2011-06-15 | — | — | CN | disclosed |