Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL263453 | 0.98 | HTT (0.35) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL260952 | 0.98 | HTT (0.35) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL3467830 | 0.98 | HTT (0.35) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL261441 | 0.98 | HTT (0.35) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL262272 | 0.98 | HTT (0.35) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL2920755 | 0.97 | HTT (0.34) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL261928 | 0.97 | HTT (0.34) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL262101 | 0.97 | HTT (0.34) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| Potassium SCHEMBL2920764 | 0.97 | HTT (0.34) | HTTLMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL261165 | 0.90 | LMNA (0.37) | HTTLMNASMN1; SMN2KMT2AMEN1 |
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 1 patent. 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 | disclosed |