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 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | USP2 | O75604 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | BLM | P54132 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6544499 | 1.00 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL8343 | 1.00 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL4030100 | 1.00 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL466183 | 1.00 | CYP1A2 (1.00) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL6672099 | 0.98 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL6689206 | 0.98 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL19031792 | 0.98 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Hydrochloric Acid SCHEMBL7340062 | 0.98 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL26730 | 0.98 | CYP1A2 (0.96) | CYP1A2ALDH1A1USP2LMNATSHR | |
| Gabapentin SCHEMBL1828034 | 0.98 | CYP1A2 (0.96) | 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 158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120064181-A1 | P2X3 Receptor Antagonists for Treatment of Pain | MERCK SHARP & DOHME LLC | 2012-03-15 | — | — | US | claimed |
| US-20120053237-A1 | Oligomer-Amino Acid Conjugates | NEKTAR THERAPEUTICS (US) | 2012-03-01 | — | — | US | claimed |
| EP-2411001-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | claimed |
| EP-2410858-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | claimed |
| EP-2410857-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | claimed |
| US-20120021074-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | US | claimed |
| US-20120015052-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2012-01-19 | — | — | US | claimed |
| EP-2400989-A1 | OLIGOMER-AMINO ACID CONJUGATES | Nektar Therapeutics (US) | 2012-01-04 | — | — | EP | claimed |
| WO-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | claimed |
| WO-2011109261-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | claimed |
| WO-2011109267-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | claimed |
| WO-2011103715-A1 | TASK CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-01 | — | — | WO | claimed |
| WO-2011106276-A1 | TASK CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-01 | — | — | WO | claimed |
| US-20110206783-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2011-08-25 | — | — | US | claimed |
| EP-2358371-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2011-08-24 | — | — | EP | claimed |
| US-20110003822-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2011-01-06 | — | — | US | claimed |
| WO-2019168654-A9 | DNA-TEMPLATED MACROCYCLE LIBRARY | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2019-10-17 | — | — | WO | disclosed |
| CN-105683157-B | Sulfonamides as sodium channel modulators | 沃泰克斯药物股份有限公司 | 2019-07-19 | — | — | CN | disclosed |
| US-5929088-A | TREATMENT OF EPILEPSY, FAINTING, NEURODEGENERATIVE DISORDERS, ANXIETY, PAIN, PANIC ATTACKS | WARNER-LAMBERT COMPANY (US) | 1999-07-27 | — | — | US | disclosed |
| WO-1998003167-A1 | ISOBUTYLGABA AND ITS DERIVATIVES FOR THE TREATMENT OF PAIN | WARNER-LAMBERT COMPANY (US) | 1998-01-29 | — | — | WO | 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 (6 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-20120064181-A1 | P2X3 Receptor Antagonists for Treatment of Pain | P2RX3, P2RX1, P2RX2 | CACNA2D1 677/4885CYP1A2 3942/4885ALDH1A1 2538/4885 |
| US-20120021074-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | P2RX3, P2RX1, P2RX2 | CACNA2D1 665/4885CYP1A2 3809/4885ALDH1A1 2798/4885 |
| US-20110206783-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | P2RX3, P2RX1, P2RX2 | CACNA2D1 665/4885CYP1A2 3809/4885ALDH1A1 2798/4885 |
| US-20120015052-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | P2RX3, P2RX1, P2RX2 | CACNA2D1 677/4885CYP1A2 3942/4885ALDH1A1 2538/4885 |
| US-20110003822-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | P2RX3, P2RX1, P2RX2 | CACNA2D1 677/4885CYP1A2 3942/4885ALDH1A1 2538/4885 |
| US-20120053237-A1 | Oligomer-Amino Acid Conjugates | DNPEP, SLC1A5, SLC7A1 | CACNA2D1 4768/4885CYP1A2 3293/4885ALDH1A1 3436/4885 |
“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.