Known targets — ChEMBL curated mechanism
CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8
The experimentally established mechanism targets of Gabapentin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.96 |
| ▸ | USP2 | O75604 | 1/20 | 0.96 |
| ▸ | LMNA | P02545 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 1/20 | 0.96 |
| ▸ | BLM | P54132 | 1/20 | 0.96 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| Gabapentin SCHEMBL2853833 | 1.00 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL3238880 | 0.98 | CYP1A2 (0.92) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL3117115 | 0.98 | CYP1A2 (0.92) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL7047893 | 0.98 | CYP1A2 (0.92) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL8343 | 0.98 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL466183 | 0.98 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL6544499 | 0.98 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL179836 | 0.98 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL4030100 | 0.98 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL19031792 | 0.96 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR |
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-1463712-A1 | NEW ANHYDROUS CRYSTALLINE FORMS OF GABAPENTIN | Warner-Lambert Company LLC (US) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003031391-A1 | NEW ANHYDROUS CRYSTALLINE FORMS OF GABAPENTIN | WARNER-LAMBERT COMPANY LLC (US) | 2003-04-17 | — | — | WO | disclosed |