Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 3/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5085513 | 1.00 | NPSR1 (0.46) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL1408810 | 0.90 | NPSR1 (0.50) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL11719302 | 0.85 | GLO1 (0.60) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL11719294 | 0.85 | GLO1 (0.60) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL1409891 | 0.80 | GRIK1 (0.48) | ALDH1A1CYP2D6GRIK1TDP1CYP2C19 | |
| SCHEMBL1408813 | 0.79 | GRIK1 (0.37) | MAPTGRIK1 | |
| SCHEMBL6690520 | 0.77 | NPSR1 (0.48) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL28582961 | 0.77 | CYP2D6 (0.45) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL2474497 | 0.76 | NPSR1 (0.56) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL28072 | 0.76 | NPSR1 (0.38) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008062460-A2 | CRYSTALLINE FORMS OF PREGABALIN | CADILA HEALTHCARE LIMITED (IN) | 2008-05-29 | — | — | WO | claimed |
| WO-2012093411-A2 | PROCESS FOR THE PREPARATION OF R-(-)-3- (CARBAMOYLMETHYL)-5-METHYLHEXANOIC ACID AND THE INTERMEDIATES | DR BRAJA SUNDAR PRADHAN (IN) | 2012-07-12 | — | — | WO | disclosed |
| WO-2010070593-A2 | MALONATE ESTERS | PFIZER IRELAND PHARMACEUTICALS (IE) | 2010-06-24 | — | — | WO | disclosed |
| WO-2008062460-A2 | CRYSTALLINE FORMS OF PREGABALIN | CADILA HEALTHCARE LIMITED (IN) | 2008-05-29 | — | — | WO | disclosed |