Known targets — ChEMBL curated mechanism
CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8
The experimentally established mechanism targets of Imagabalin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 2/20 | 0.37 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.37 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.37 |
| ▸ | CACNA2D2 known ✓ | Q9NY47 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.40 |
| ▸ | BHMT | Q93088 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.38 |
| ▸ | GABRD | O14764 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Imagabalin SCHEMBL5282412 | 1.00 | ALDH1A1 (0.42) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Imagabalin SCHEMBL1198695 | 1.00 | ALDH1A1 (0.42) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Imagabalin SCHEMBL1816431 | 0.98 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Imagabalin SCHEMBL3960408 | 0.98 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Imagabalin SCHEMBL3961605 | 0.98 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Imagabalin SCHEMBL119441 | 0.98 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Imagabalin SCHEMBL2472147 | 0.98 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Imagabalin SCHEMBL3960412 | 0.98 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL1199813 | 0.89 | S1PR2 (0.45) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL3140001 | 0.89 | S1PR2 (0.45) | ALDH1A1S1PR2S1PR1SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080194841-A1 | Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein | PFIZER INC. | 2008-08-14 | — | — | 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-20080194841-A1 | Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein | OPRD1, CHRND, CHRNE | CACNA2D1 30/4885CACNB3 115/4885CACNA1C 51/4885 |
“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.