Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.51 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 5/20 | 0.35 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14108605 | 0.98 | CACNA2D1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Hydrochloric Acid SCHEMBL14108607 | 0.98 | CACNA2D1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL15698640 | 0.80 | CACNA2D1 (0.58) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL7980052 | 0.80 | CACNA2D1 (0.58) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL873242 | 0.79 | TDP1 (0.58) | TDP1TSHRMAPTCACNA1BAPBA1 | |
| Hydrochloric Acid SCHEMBL30695404 | 0.78 | CACNA2D1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL25734261 | 0.78 | CACNA2D1 (0.60) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL25735046 | 0.78 | CACNA2D1 (0.60) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL25375463 | 0.77 | CACNA2D1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Ethane SCHEMBL17791907 | 0.77 | TDP1 (0.61) | TDP1TSHRMAPTCACNA1BAPBA1 |
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-2009087650-A2 | A NOVEL PROCESS FOR SYNTHESIS OF PREGABALIN FROM SUBSTITUTED CYCLOPROPANE INTERMEDIATE AND A PROCESS FOR ENZYMATIC RESOLUTION OF RACEMIC PREGABALIN | V.B. MEDICARE PVT. LTD. (IN) | 2009-07-16 | — | — | WO | disclosed |