Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PPID | Q08752 | 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 | |
|---|---|---|---|---|
| SCHEMBL261165 | 1.00 | LMNA (0.37) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL261164 | 1.00 | LMNA (0.37) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL260952 | 0.91 | HTT (0.35) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL262272 | 0.91 | HTT (0.35) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL3467830 | 0.91 | HTT (0.35) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL263453 | 0.91 | HTT (0.35) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL12447852 | 0.91 | SMN1; SMN2 (0.39) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL261441 | 0.91 | HTT (0.35) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL2920755 | 0.90 | HTT (0.34) | LMNAHTTALDH1A1TSHRKMT2A | |
| SCHEMBL262101 | 0.90 | HTT (0.34) | LMNAHTTALDH1A1TSHRKMT2A |
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 |
| WO-2023088077-A1 | BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF PREGABALIN INTERMEDIATES | ENZYMASTER (NINGBO) BIO-ENGINEERING CO., LTD. (CN) | 2023-05-25 | — | — | 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 |
| 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-2010070593-A2 | MALONATE ESTERS | PFIZER IRELAND PHARMACEUTICALS (IE) | 2010-06-24 | — | — | WO | disclosed |