Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16139685 | 0.88 | CYP1A2 (0.53) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL1331978 | 0.86 | CYP1A2 (0.73) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL50734 | 0.86 | CYP1A2 (0.73) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL31150447 | 0.84 | CYP1A2 (0.70) | CYP1A2GAAMGAMSIMGAM2 | |
| Succinic Acid Diethyl Ester SCHEMBL21518140 | 0.84 | CYP1A2 (0.70) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8197232 | 0.83 | ALDH1A1 (0.42) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL11871882 | 0.83 | CYP1A2 (0.57) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8503861 | 0.83 | CYP1A2 (0.57) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8570508 | 0.81 | CYP1A2 (0.73) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL14341642 | 0.81 | CA12 (0.46) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0344983-B1 | PROCESS FOR PREPARING 2- AND 4-ALKOXYCARBONYL THIOLAN-3-ONES | JOHN WYETH & BROTHER LIMITED (GB) | 1993-09-15 | — | — | EP | disclosed |
| EP-0344983-A1 | Process for preparing 2- and 4-alkoxycarbonyl thiolan-3-ones | JOHN WYETH & BROTHER LIMITED (GB) | 1989-12-06 | — | — | EP | disclosed |