Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 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 | |
|---|---|---|---|---|
| SCHEMBL7703902 | 0.88 | GRM2 (0.34) | CYP2D6CYP2C19CTSLCTSBCTSS | |
| SCHEMBL8164857 | 0.82 | GRM2 (0.32) | TSHRCTSLCTSBCTSSCTSK | |
| SCHEMBL4409964 | 0.81 | CTSS (0.35) | CYP2D6TSHRCYP2C19HIF1ACTSS | |
| SCHEMBL9693068 | 0.81 | ALDH1A1 (0.42) | CYP2D6TSHRCYP2C19HIF1AALDH1A1 | |
| SCHEMBL9836697 | 0.78 | TSHR (0.39) | CYP2D6TSHRCYP2C19HIF1ACTSS | |
| SCHEMBL2638081 | 0.77 | — | — | |
| SCHEMBL7707030 | 0.77 | CTSS (0.33) | TSHRCTSLCTSSCTSK | |
| SCHEMBL10140651 | 0.74 | HMGCR (0.38) | CYP2D6TSHRCYP2C19HIF1ACTSL | |
| SCHEMBL10011205 | 0.73 | CYP2C19 (0.36) | CYP2D6TSHRCYP2C19HIF1ACTSL | |
| SCHEMBL4543716 | 0.71 | ALDH1A1 (0.35) | CYP2D6TSHRCYP2C19HIF1AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012059797-A1 | PROCESS FOR SYNTHESIS OF (S) - PREGABALIN | LUPIN LIMITED (IN) | 2012-05-10 | — | — | WO | disclosed |
| WO-2012059797-A1 | PROCESS FOR SYNTHESIS OF (S) - PREGABALIN | LUPIN LIMITED (IN) | 2012-05-10 | — | — | 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 |