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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.58 |
| ▸ | SLC7A5 | Q01650 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | USP2 | O75604 | 2/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALPI | P09923 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | XIAP | P98170 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 SCHEMBL3165631 | 0.89 | ALDH1A1 (0.54) | SLC7A5ALDH1A1USP2PTGS1CYP1A2 | |
| Gabapentin SCHEMBL3176277 | 0.89 | ALDH1A1 (0.54) | SLC7A5ALDH1A1USP2PTGS1CYP1A2 | |
| Fenclonine SCHEMBL3174536 | 0.89 | ALDH1A1 (0.54) | SLC7A5ALDH1A1USP2PTGS1CYP1A2 | |
| Gabapentin SCHEMBL3166322 | 0.89 | ALDH1A1 (0.54) | SLC7A5ALDH1A1USP2PTGS1CYP1A2 | |
| Iodofalan SCHEMBL3166292 | 0.89 | ALDH1A1 (0.54) | SLC7A5ALDH1A1USP2PTGS1CYP1A2 | |
| Homophenylalanine SCHEMBL3174999 | 0.87 | ALDH1A1 (0.55) | SLC7A5ALDH1A1USP2PTGS1CYP1A2 | |
| Gabapentin SCHEMBL3180965 | 0.87 | USP2 (0.49) | SLC7A5ALDH1A1USP2PTGS1CYP1A2 | |
| M-Fluorophenylalanine SCHEMBL3180948 | 0.87 | ALDH1A1 (0.49) | SLC7A5ALDH1A1USP2PTGS1CYP1A2 | |
| Gabapentin SCHEMBL14966637 | 0.87 | ALDH1A1 (0.58) | ALDH1A1USP2CYP1A2SMN1; SMN2LMNA | |
| Gabapentin SCHEMBL14967717 | 0.87 | ALDH1A1 (0.58) | ALDH1A1USP2CYP1A2SMN1; SMN2LMNA |
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-2002042414-A2 | AMINO ACID CONJUGATES PROVIDING FOR SUSTAINED SYSTEMIC CONCENTRATIONS OF GABA ANALOGUES | XENOPORT, INC. (US) | 2002-05-30 | — | — | WO | disclosed |