Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KARS1 | Q15046 | 5/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL12887757 | 0.85 | NR1H3 (0.54) | KARS1NR1H3PTGS1PTPN1CYP2C9 | |
| SCHEMBL280071 | 0.85 | NR1H3 (0.54) | KARS1NR1H3PTGS1PTPN1CYP2C9 | |
| SCHEMBL280442 | 0.77 | SOD1 (0.47) | NR1H3PTGS1PTPN1CYP2C9TSHR | |
| SCHEMBL12522495 | 0.72 | NR1H3 (0.49) | KARS1NR1H3PTGS1PTPN1CYP2C9 | |
| SCHEMBL10224357 | 0.71 | NR1H3 (0.38) | NR1H3CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL12704655 | 0.69 | NR1H3 (0.52) | KARS1NR1H3PTGS1PTPN1CYP2C9 | |
| SCHEMBL6009706 | 0.69 | NR1H3 (0.52) | KARS1NR1H3PTGS1PTPN1CYP2C9 | |
| SCHEMBL14286750 | 0.69 | NR1H3 (0.58) | KARS1NR1H3PTGS1PTPN1CYP2C9 | |
| SCHEMBL267926 | 0.69 | NR1H3 (0.58) | KARS1NR1H3PTGS1PTPN1CYP2C9 | |
| SCHEMBL12450206 | 0.69 | NR1H3 (0.58) | KARS1NR1H3PTGS1PTPN1CYP2C9 |
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-2311795-A2 | Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators | Nereus Pharmaceuticals, Inc. (US) | 2011-04-20 | — | — | EP | disclosed |