Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2595399 | 0.86 | TSHR (0.62) | ALDH1A1GLATSHRSMN1; SMN2SLC6A2 | |
| SCHEMBL9416797 | 0.85 | CYP3A4 (0.49) | ALDH1A1GLATSHRSLC6A2SLC6A4 | |
| SCHEMBL22265281 | 0.84 | HSD11B1 (0.36) | ALDH1A1HSD17B10AGTR2OPRM1 | |
| SCHEMBL307214 | 0.80 | AGTR2 (0.43) | ALDH1A1HSD17B10AGTR2 | |
| SCHEMBL5045338 | 0.73 | ALDH1A1 (0.47) | ALDH1A1GLATSHRSMN1; SMN2MLYCD | |
| SCHEMBL5045325 | 0.72 | ALDH1A1 (0.46) | ALDH1A1GLATSHRSMN1; SMN2MLYCD | |
| SCHEMBL21785057 | 0.72 | OPRM1 (0.49) | ALDH1A1GLATSHRSMN1; SMN2MLYCD | |
| SCHEMBL22265381 | 0.71 | ALDH1A1 (0.36) | ALDH1A1HSD17B10NPSR1OPRM1 | |
| SCHEMBL9416859 | 0.71 | KMT2A (0.47) | ALDH1A1TSHRSMN1; SMN2NPSR1OPRM1 | |
| SCHEMBL19373340 | 0.71 | HSD11B1 (0.36) | TSHRAGTR2 |
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-2408300-A1 | AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE | Sunshine Lake Pharma Co., Ltd (CN) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010111063-A1 | AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE | XI NING (US) | 2010-09-30 | — | — | WO | disclosed |