Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.47 |
| ▸ | RARB | P10826 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9273474 | 0.92 | RARB (0.52) | PTGS2PTGS1AKR1C3RARBLMNA | |
| SCHEMBL7796865 | 0.91 | RARB (0.56) | PTGS2PTGS1AKR1C3RARBLMNA | |
| SCHEMBL7799542 | 0.90 | RARB (0.58) | PTGS2RARBNFKB1SMN1; SMN2RAB9A | |
| SCHEMBL7796699 | 0.86 | SMN1; SMN2 (0.44) | AKR1C3RARBAKR1C2SMN1; SMN2RAB9A | |
| SCHEMBL7800828 | 0.85 | SMN1; SMN2 (0.43) | RARBSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL9274159 | 0.83 | RARB (0.66) | PTGS2PTGS1AKR1C3RARBLMNA | |
| SCHEMBL471134 | 0.83 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3RARBLMNA | |
| SCHEMBL13308113 | 0.83 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3RARBLMNA | |
| SCHEMBL7798294 | 0.83 | RARB (0.46) | RARBLMNANFKB1SMN1; SMN2RAB9A | |
| SCHEMBL9271040 | 0.82 | RARB (0.68) | PTGS2PTGS1AKR1C3RARBLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1160242-A1 | Aromatic fatty acid esters | Rolic AG (CH) | 2001-12-05 | — | — | EP | disclosed |
| EP-0546298-B1 | Fatty acids esters containing a pyrimidine ring as component liquid crystalline mixtures | ROLIC AG (CH) | 2000-08-02 | — | — | EP | disclosed |
| EP-0992498-A1 | Aromatic fatty acid esters | Rolic AG (CH) | 2000-04-12 | — | — | EP | disclosed |
| EP-0546298-A2 | Fatty acids esters containing a pyridine or pyrimidine ring as components liquid crystalline mixtures | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-16 | — | — | EP | disclosed |