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 | 0.38 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.38 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.38 |
| ▸ | CACNA2D2 known ✓ | Q9NY47 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | BHMT | Q93088 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
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 SCHEMBL3961605 | 1.00 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| Imagabalin SCHEMBL1816431 | 1.00 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| Imagabalin SCHEMBL3960408 | 1.00 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| Imagabalin SCHEMBL119441 | 1.00 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| Imagabalin SCHEMBL3960412 | 1.00 | ALDH1A1 (0.43) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| Imagabalin SCHEMBL5282412 | 0.98 | ALDH1A1 (0.42) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| Imagabalin SCHEMBL4936508 | 0.98 | ALDH1A1 (0.42) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| Imagabalin SCHEMBL1198695 | 0.98 | ALDH1A1 (0.42) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| SCHEMBL3958660 | 0.89 | S1PR2 (0.46) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 | |
| SCHEMBL2909702 | 0.89 | S1PR2 (0.46) | ALDH1A1S1PR2S1PR1SLC1A3SLC1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2364296-A1 | PYRROLIDINES | Pfizer Limited (GB) | 2011-09-14 | — | — | EP | disclosed |
| WO-2010052625-A1 | PYRROLIDINES | PFIZER LIMITED (GB) | 2010-05-14 | — | — | WO | disclosed |