Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL2901050 | 0.83 | ALDH1A1 (0.59) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| SCHEMBL451857 | 0.83 | TSHR (0.43) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| SCHEMBL28188062 | 0.81 | HSD17B10 (0.52) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| Ammonia Solution, Strong SCHEMBL27745815 | 0.81 | TSHR (0.42) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| Ethylene SCHEMBL29245194 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| SCHEMBL5012805 | 0.79 | MAPT (0.43) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| SCHEMBL10834976 | 0.79 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| SCHEMBL10836771 | 0.79 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| SCHEMBL17057 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HSD17B10HCAR2LMNATSHR | |
| SCHEMBL4923499 | 0.78 | TSHR (0.38) | ALDH1A1HSD17B10HCAR2LMNATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011150380-A1 | METHODS OF TREATMENT OF FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2011-12-01 | — | — | WO | claimed |
| 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 |