Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9438171 | 0.79 | CYP1A2 (0.48) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL196812 | 0.79 | CYP1A2 (0.48) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL1700886 | 0.79 | CYP1A2 (0.48) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL11266534 | 0.78 | CYP1A2 (0.44) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL28793327 | 0.78 | CYP1A2 (0.47) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL15270397 | 0.78 | CYP1A2 (0.47) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL21853259 | 0.77 | NR1I2 (0.39) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL15071341 | 0.76 | CYP1A2 (0.45) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL9438339 | 0.76 | ALDH1A1 (0.46) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL9362311 | 0.76 | CYP1A2 (0.45) | CYP1A2GAAMGAMSIMGAM2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4456768-A | Chemical synthesis | THE UNIVERSITY OF CHICAGO (US) | 1984-06-26 | — | — | US | disclosed |
| US-4324730-A | Certain fluorine substituted PGI2 compounds | THE UNIVERSITY OF CHICAGO (US) | 1982-04-13 | — | — | US | disclosed |
| EP-0037422-A4 | FLUORO-SUBSTITUTED PROSTAGLANDINS AND PROSTACYCLINS. | UNIV CHICAGO (US) | 1982-01-26 | — | — | EP | disclosed |
| EP-0037422-A1 | FLUORO-SUBSTITUTED PROSTAGLANDINS AND PROSTACYCLINS | UNIVERSITY OF CHICAGO (US) | 1981-10-14 | — | — | EP | disclosed |
| WO-1981001002-A1 | FLUORO-SUBSTITUTED PROSTAGLANDINS AND PROSTACYCLINS | UNIV CHICAGO (US) | 1981-04-16 | — | — | WO | disclosed |