Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL16629 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TDP1KDM1ACA2CYP2C19 | |
| SCHEMBL16062 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TDP1KDM1ACA2CYP2C19 | |
| SCHEMBL3333001 | 0.78 | — | — | |
| SCHEMBL15653 | 0.76 | NPSR1 (0.43) | ALDH1A1CYP2C19 | |
| SCHEMBL15652 | 0.76 | NPSR1 (0.43) | ALDH1A1CYP2C19 | |
| SCHEMBL16394 | 0.76 | NPSR1 (0.43) | ALDH1A1CYP2C19 | |
| SCHEMBL1958550 | 0.76 | — | — | |
| SCHEMBL1958551 | 0.76 | — | — | |
| SCHEMBL7522292 | 0.71 | KDM4E (0.44) | — | |
| SCHEMBL11726029 | 0.70 | ALDH1A1 (0.43) | ALDH1A1TDP1KDM1ACA2CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118496114-A | Preparation method of pregabalin | 威海海洋职业学院 | 2024-08-16 | — | — | CN | claimed |
| EP-2916832-B1 | A PROCESS FOR THE PREPARATION OF PREGABALIN | HIKAL LTD (IN) | 2019-01-16 | — | — | EP | claimed |
| CN-118496114-A | Preparation method of pregabalin | 威海海洋职业学院 | 2024-08-16 | — | — | CN | disclosed |
| WO-2012059797-A1 | PROCESS FOR SYNTHESIS OF (S) - PREGABALIN | LUPIN LIMITED (IN) | 2012-05-10 | — | — | WO | disclosed |
| WO-2012025861-A1 | PROCESS FOR THE PREPARATION OF ( S ) - 3 - CYANO - 5 - METHYLHEXANOIC ACID DERIVATIVES ADN OF PREGABALIN | PFIZER MANUFACTURING IRELAND (IE) | 2012-03-01 | — | — | WO | disclosed |
| WO-2012025861-A1 | PROCESS FOR THE PREPARATION OF ( S ) - 3 - CYANO - 5 - METHYLHEXANOIC ACID DERIVATIVES ADN OF PREGABALIN | PFIZER MANUFACTURING IRELAND (IE) | 2012-03-01 | — | — | WO | disclosed |