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 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | USP2 | O75604 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 SCHEMBL6542799 | 0.88 | ALDH1A1 (0.52) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL7545682 | 0.83 | SLC7A5 (0.58) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL14966637 | 0.80 | ALDH1A1 (0.58) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL14967717 | 0.80 | ALDH1A1 (0.58) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL4910597 | 0.79 | ALDH1A1 (0.52) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL6542735 | 0.78 | ALDH1A1 (0.49) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL475786 | 0.77 | CYP1A2 (0.55) | ALDH1A1CYP1A2ALPIPKMPTGS1 | |
| SCHEMBL288097 | 0.77 | CYP1A2 (0.55) | ALDH1A1CYP1A2ALPIPKMPTGS1 | |
| Homophenylalanine SCHEMBL3174999 | 0.76 | ALDH1A1 (0.55) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL2862353 | 0.76 | ALDH1A1 (0.92) | ALDH1A1USP2LMNACYP1A2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1412324-A4 | AMINO ACID CONJUGATES PROVIDING FOR SUSTAINED SYSTEMIC CONCENTRATIONS OF GABA ANALOGUES | XENOPORT INC (US) | 2004-09-29 | — | — | EP | disclosed |
| EP-1412324-A2 | AMINO ACID CONJUGATES PROVIDING FOR SUSTAINED SYSTEMIC CONCENTRATIONS OF GABA ANALOGUES | Xenoport, Inc. (US) | 2004-04-28 | — | — | EP | disclosed |
| WO-2002100344-A2 | AMINO ACID CONJUGATES PROVIDING FOR SUSTAINED SYSTEMIC CONCENTRATIONS OF GABA ANALOGUES | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | disclosed |