Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 2/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Acanthol SCHEMBL261846 | 0.83 | NR1H3 (1.00) | NR1H3PTGS1PTPN1CYP2C9TSHR | |
| Acanthol SCHEMBL12450173 | 0.83 | NR1H3 (1.00) | NR1H3PTGS1PTPN1CYP2C9TSHR | |
| Acanthol SCHEMBL267115 | 0.83 | NR1H3 (1.00) | NR1H3PTGS1PTPN1CYP2C9TSHR | |
| SCHEMBL267491 | 0.83 | NR1H3 (0.62) | NR1H3PTGS1PTPN1CYP2C9TSHR | |
| SCHEMBL14610236 | 0.83 | NR1H3 (0.69) | NR1H3PTGS1PTPN1CYP2C9TSHR | |
| SCHEMBL280153 | 0.83 | NR1H3 (0.69) | NR1H3PTGS1PTPN1CYP2C9TSHR | |
| SCHEMBL6008230 | 0.83 | PTGS1 (0.52) | NR1H3PTGS1PTPN1 | |
| SCHEMBL280217 | 0.81 | PTGS1 (0.51) | NR1H3PTGS1PTPN1 | |
| SCHEMBL6007933 | 0.81 | NR1H3 (0.51) | NR1H3PTGS1PTPN1 | |
| SCHEMBL12450119 | 0.81 | NR1H3 (0.51) | NR1H3PTGS1PTPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912932-B1 | INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS | NEREUS PHARMACEUTICALS INC (US) | 2012-05-02 | — | — | EP | disclosed |