Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Edetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | EYA2 | O00167 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Edetic Acid SCHEMBL5729 | 1.00 | KDM4E (0.68) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL15103670 | 0.97 | KDM4E (0.65) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL16004809 | 0.97 | KDM4E (0.73) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL1535275 | 0.97 | KDM4E (0.65) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL3491246 | 0.97 | KDM4E (0.65) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL41639 | 0.97 | KDM4E (0.73) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL5485760 | 0.97 | KDM4E (0.73) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Pentetic Acid SCHEMBL1477452 | 0.97 | KDM4E (0.73) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL22654038 | 0.97 | KDM4E (0.65) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL14860165 | 0.97 | KDM4E (0.65) | KDM4EALOX15MAPTSMN1; SMN2TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120070495-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | WYETH LLC (US) | 2012-03-22 | — | — | US | disclosed |
| EP-2371357-A1 | Oral formulations and lipophilic salts of methylnaltrexone | Wyeth LLC (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2011112816-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | WYETH, LLC (US) | 2011-09-15 | — | — | WO | disclosed |
| EP-2356119-A1 | PERIPHERAL OPIOID RECEPTOR ANTAGONISTS AND USES THEREOF | Wyeth LLC (US) | 2011-08-17 | — | — | EP | 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-20120070495-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | OPRL1, OPRM1, OPRK1 | KDM4E 690/4885ALOX15 753/4885MAPT 1845/4885 |
“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.