Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2903864 | 0.83 | ALDH1A1 (0.37) | ALDH1A1SOAT1LMNAHSD17B10TSHR | |
| SCHEMBL304127 | 0.81 | ALDH1A1 (0.65) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| SCHEMBL12650531 | 0.79 | ALDH1A1 (0.62) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| SCHEMBL3582238 | 0.78 | ALDH1A1 (0.54) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| SCHEMBL7279061 | 0.78 | CYP1A2 (0.45) | ALDH1A1LMNAMGAMGAASI | |
| Isopropyl Alcohol SCHEMBL3840029 | 0.78 | ALDH1A1 (0.77) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| SCHEMBL18050560 | 0.77 | ALDH1A1 (0.59) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| SCHEMBL26696455 | 0.77 | ALDH1A1 (0.59) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| SCHEMBL5724509 | 0.77 | ALDH1A1 (0.59) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| SCHEMBL1439311 | 0.77 | TSHR (0.39) | LMNATSHRHCAR2 |
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-2217564-A1 | COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE | XenoPort, Inc. (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009033054-A1 | COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE | XENOPORT, INC. (US) | 2009-03-12 | — | — | WO | disclosed |