Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.58 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.58 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL15698640 | 1.00 | CACNA2D1 (0.58) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Hydrochloric Acid SCHEMBL30695404 | 0.98 | CACNA2D1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL234997 | 0.88 | MGAM (0.46) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL8320348 | 0.86 | CACNA2D1 (0.42) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL27539220 | 0.85 | MGAM (0.43) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Hydrochloric Acid SCHEMBL30512140 | 0.84 | CACNA2D1 (0.53) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL21589071 | 0.84 | CACNA2D1 (0.39) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL27857355 | 0.84 | CACNA2D1 (0.39) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4329152 | 0.84 | CACNA2D1 (0.39) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL8057583 | 0.83 | MGAM (0.41) | CACNA2D1CACNB3CACNA1CPGRADRA1A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105367434-A | Method for synthesizing pregabalin from isobutyraldehyde | TAICANG YUNTONG BIOCHEMICAL ENG CO LTD | 2016-03-02 | — | — | CN | claimed |
| CN-105348126-A | Method for synthesizing Pregabalin by taking chloroacetonitrile and isobutylaldehyde as raw materials | TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD | 2016-02-24 | — | — | CN | claimed |
| CN-105367434-A | Method for synthesizing pregabalin from isobutyraldehyde | TAICANG YUNTONG BIOCHEMICAL ENG CO LTD | 2016-03-02 | — | — | CN | disclosed |
| CN-105348126-A | Method for synthesizing Pregabalin by taking chloroacetonitrile and isobutylaldehyde as raw materials | TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD | 2016-02-24 | — | — | CN | disclosed |
| US-8546112-B2 | Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester | SANDOZ AG (CH) | 2013-10-01 | — | — | US | disclosed |
| EP-2294207-B1 | Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester | SANDOZ AG (CH) | 2012-09-26 | — | — | EP | disclosed |
| US-20110165636-A1 | PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER | SANDOZ AG (CH) | 2011-07-07 | — | — | US | disclosed |
| WO-2009141362-A2 | PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER | SANDOZ AG (CH) | 2009-11-26 | — | — | WO | disclosed |
| WO-2009044409-A2 | NOVEL RESOLUTION PROCESS FOR PREGABALIN | NATCO PHARMA LIMITED (IN) | 2009-04-09 | — | — | WO | disclosed |
| US-20080045747-A1 | Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin | KANSAL VINOD K | 2008-02-21 | — | — | US | disclosed |
| US-20080045747-A1 | Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin | KANSAL VINOD K | 2008-02-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080045747-A1 | Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin | GABRE, GABRA5, GABRA6 | CACNA2D1 219/4885CACNB3 190/4885CACNA1C 86/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.