Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | RXRA | P19793 | 5/20 | 0.45 |
| ▸ | RXRB | P28702 | 5/20 | 0.45 |
| ▸ | RXRG | P48443 | 5/20 | 0.45 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
| ▸ | POLQ | O75417 | 1/20 | 0.40 |
| ▸ | CXCL8 | P10145 | 4/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.37 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.37 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL29009948 | 0.85 | RXRA (0.44) | PTGS2RXRARXRBRXRGCLCN2 | |
| SCHEMBL30427864 | 0.85 | RXRA (0.44) | PTGS2RXRARXRBRXRGCLCN2 | |
| SCHEMBL6605072 | 0.84 | PTGS2 (0.58) | PTGS2RXRAP2RX7 | |
| SCHEMBL29718508 | 0.84 | PTGS2 (0.58) | PTGS2RXRAP2RX7 | |
| SCHEMBL722336 | 0.77 | POLQ (0.62) | PTGS2RXRARXRBRXRGPOLQ | |
| SCHEMBL671103 | 0.77 | POLQ (0.48) | PTGS2RXRARXRBRXRGPOLQ | |
| SCHEMBL18302050 | 0.77 | AKR1B1 (0.47) | PTGS2RXRARXRBRXRGCLCN2 | |
| SCHEMBL18301971 | 0.77 | AKR1B1 (0.52) | PTGS2RXRARXRBRXRGCLCN2 | |
| SCHEMBL4900831 | 0.77 | CXCL8 (0.50) | PTGS2CLCN2CXCL8CAMK2AAKR1B10 | |
| SCHEMBL3648899 | 0.76 | RXRA (0.46) | PTGS2RXRARXRBRXRGPOLQ |
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-2125753-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008082003-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | WO | disclosed |