Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8653303 | 0.89 | MGAM (0.50) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL5828215 | 0.86 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL2454280 | 0.85 | MGAM (0.46) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL29833575 | 0.85 | MMP1 (0.46) | MGAMGAASIMGAM2ALDH1A1 | |
| Ethane SCHEMBL28133876 | 0.83 | MGAM (0.44) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL12186232 | 0.83 | ALOX15 (0.44) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL15788147 | 0.82 | MGAM (0.40) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL6670672 | 0.82 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL29636387 | 0.82 | GAA (0.48) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL1915551 | 0.81 | NAAA (0.44) | ALDH1A1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011141923-A2 | IMPROVED SYNTHESIS OF OPTICALLY PURE (S) - 3-CYANO-5-METHYL-HEXANOIC ACID ALKYL ESTER, AN INTERMEDIATE OF (S)- PREGABALIN | LUPIN LIMITED (IN) | 2011-11-17 | — | — | WO | claimed |
| CN-103980108-B | Preparation method of 2- (1-methyl alkyl) succinic acid | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2015-09-23 | — | — | CN | disclosed |
| CN-103980108-A | Preparation method of 2- (1-methyl alkyl) succinic acid | UNIV EAST CHINA SCIENCE & TECH | 2014-08-13 | — | — | CN | disclosed |
| WO-2011141923-A2 | IMPROVED SYNTHESIS OF OPTICALLY PURE (S) - 3-CYANO-5-METHYL-HEXANOIC ACID ALKYL ESTER, AN INTERMEDIATE OF (S)- PREGABALIN | LUPIN LIMITED (IN) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011141923-A2 | IMPROVED SYNTHESIS OF OPTICALLY PURE (S) - 3-CYANO-5-METHYL-HEXANOIC ACID ALKYL ESTER, AN INTERMEDIATE OF (S)- PREGABALIN | LUPIN LIMITED (IN) | 2011-11-17 | — | — | WO | disclosed |