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 | 0.92 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.92 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.92 |
| ▸ | USP2 | O75604 | 1/20 | 0.92 |
| ▸ | LMNA | P02545 | 1/20 | 0.92 |
| ▸ | TSHR | P16473 | 1/20 | 0.92 |
| ▸ | BLM | P54132 | 1/20 | 0.92 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.92 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | 0.98 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL6672099 | 0.98 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL1828034 | 0.98 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL3117115 | 0.96 | CYP1A2 (0.92) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL3238880 | 0.96 | CYP1A2 (0.92) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL8343 | 0.96 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL466183 | 0.96 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL6544499 | 0.96 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL179836 | 0.96 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL4030100 | 0.96 | CYP1A2 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| US-6521788-B2 | Reducing (1-nitromethyl-cyclohexyl) acetonitrile to give 3-imino-2-aza-spiro(4.5)decan-2-ol; treatment with alkali to form 2-hydroxy-2-aza-spiro(4.5)decan-3-one; reducing; hydrolysis to gabapentin | PROCOS S.P.A. (IT) | 2003-02-18 | — | — | US | disclosed |
| US-20030009055-A1 | PROCESS FOR THE PREPARATION OF 1-AMINOMETHYL-1- CYCLOHEXANEACETIC ACID | PROCOS S.P.A (IT) | 2003-01-09 | — | — | 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-20030009055-A1 | PROCESS FOR THE PREPARATION OF 1-AMINOMETHYL-1- CYCLOHEXANEACETIC ACID | GABRA4, SCN4A, GABRA6 | CACNA2D1 89/4885CYP1A2 219/4885ALDH1A1 79/4885 |
“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.