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 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | USP2 | O75604 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 SCHEMBL14967717 | 1.00 | ALDH1A1 (0.58) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL7545682 | 0.87 | SLC7A5 (0.58) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL6542799 | 0.80 | ALDH1A1 (0.52) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL4910597 | 0.80 | ALDH1A1 (0.52) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL6542010 | 0.80 | ALDH1A1 (0.52) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Homophenylalanine SCHEMBL3174999 | 0.80 | ALDH1A1 (0.55) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL2862353 | 0.80 | ALDH1A1 (0.92) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL14966970 | 0.79 | ALDH1A1 (0.58) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL3165631 | 0.79 | ALDH1A1 (0.54) | ALDH1A1USP2LMNACYP1A2TSHR | |
| Gabapentin SCHEMBL3180965 | 0.77 | USP2 (0.49) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013074906-A1 | COMPOSITIONS FOR CONTROLLING FOOD INTAKE AND USES THEREFOR | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2013-05-23 | — | — | WO | disclosed |