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 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 2/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6541145 | 0.86 | EDNRA (0.66) | EDNRALMNAHTR1ADRD2HTR2A | |
| SCHEMBL6541319 | 0.76 | EDNRA (0.54) | EDNRARBP4TP53MAPTELANE | |
| SCHEMBL6542066 | 0.74 | EDNRA (0.63) | EDNRAALDH1A1CYP1A2TP53MAPT | |
| SCHEMBL6542075 | 0.72 | EDNRA (0.49) | EDNRALMNAHTR1ADRD2HTR2A | |
| SCHEMBL6541905 | 0.72 | EDNRA (0.78) | EDNRAALDH1A1LMNASMN1; SMN2TP53 | |
| Fandosentan SCHEMBL29388301 | 0.72 | EDNRA (1.00) | EDNRAALDH1A1LMNASMN1; SMN2HTR1A | |
| Fandosentan SCHEMBL795805 | 0.72 | EDNRA (1.00) | EDNRAALDH1A1LMNASMN1; SMN2HTR1A | |
| Fandosentan SCHEMBL6541919 | 0.71 | EDNRA (0.98) | EDNRAALDH1A1LMNASMN1; SMN2HTR1A | |
| Fandosentan SCHEMBL7547479 | 0.71 | EDNRA (0.98) | EDNRAALDH1A1LMNASMN1; SMN2HTR1A | |
| SCHEMBL6541350 | 0.69 | EDNRA (0.79) | EDNRAALDH1A1LMNAKMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20030232787-A1 | Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic | DOOLEY DAVID JAMES (US) | 2003-12-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030232787-A1 | Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic | EDNRA, EDNRB, ECE1 | CACNA2D1 93/4885EDNRA 1/4885USP2 4385/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.