Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18116105 | 0.79 | TSHR (0.39) | GAAMGAMSIMGAM2TSHR | |
| SCHEMBL13643227 | 0.79 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1245716 | 0.79 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL17792657 | 0.79 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL6316544 | 0.78 | GAA (0.41) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL25975236 | 0.77 | MGAM (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL13513002 | 0.77 | MGAM (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL11366021 | 0.77 | MGAM (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL6911104 | 0.77 | MGAM (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethane SCHEMBL2862194 | 0.77 | GAA (0.48) | GAAMGAMSIMGAM2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6559343-B1 | Reacting cyclobutane-1,3-dione with silylation agent in presence of base; acetylation in presence of Lewis acid catalyst; cyclization | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-06 | — | — | US | disclosed |