Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid Propyl Ester SCHEMBL638351 | 0.82 | TSHR (0.61) | TSHRALDH1A1LMNAHSD17B10GAA | |
| Acetic Acid Propyl Ester SCHEMBL8915210 | 0.81 | ALDH1A1 (0.47) | TSHRALDH1A1LMNAHSD17B10NAAA | |
| Acetic Acid Propyl Ester SCHEMBL9624473 | 0.81 | TSHR (0.54) | TSHRALDH1A1LMNAHSD17B10GAA | |
| Acetic Acid Propyl Ester SCHEMBL10418679 | 0.79 | ALDH1A1 (0.48) | TSHRALDH1A1LMNAHSD17B10GAA | |
| Ethyl Acetate SCHEMBL31491405 | 0.75 | ALDH1A1 (0.61) | TSHRALDH1A1LMNAHSD17B10NAAA | |
| Ethyl Acetate SCHEMBL1528836 | 0.75 | ALDH1A1 (0.67) | TSHRALDH1A1LMNAHSD17B10MGAM | |
| Acetic Acid Propyl Ester SCHEMBL31198553 | 0.75 | ALDH1A1 (0.56) | TSHRALDH1A1LMNAHSD17B10NAAA | |
| Acetic Acid Butyl Ester SCHEMBL22122573 | 0.74 | ALDH1A1 (0.69) | TSHRALDH1A1LMNAHSD17B10NAAA | |
| Ethyl Acetate SCHEMBL28175030 | 0.73 | ALDH1A1 (0.58) | TSHRALDH1A1LMNAHSD17B10MGAM | |
| Ethyl Propionate SCHEMBL25327262 | 0.73 | NAAA (0.58) | ALDH1A1LMNAHSD17B10NAAAMGAM |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993020811-A1 | THERAPEUTIC CHOLESTEROL GALLSTONE DISSOLUTION METHOD | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1993-10-28 | — | — | WO | disclosed |