Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | EYA2 | O00167 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1162338 | 0.87 | ALDH1A1 (0.32) | — | |
| Acetic Acid SCHEMBL485883 | 0.79 | — | — | |
| SCHEMBL366468 | 0.78 | LMNA (0.33) | LMNA | |
| Edetic Acid SCHEMBL3419248 | 0.77 | TDP1 (0.47) | TDP1EYA2APPACEBLM | |
| SCHEMBL13576376 | 0.77 | TDP1 (0.54) | TDP1EYA2APPACEBLM | |
| SCHEMBL1269020 | 0.77 | TDP1 (0.54) | TDP1EYA2APPACEBLM | |
| Hydrochloric Acid SCHEMBL28754220 | 0.76 | LMNA (0.32) | LMNA | |
| Hydrochloric Acid SCHEMBL28885497 | 0.76 | LMNA (0.32) | LMNA | |
| SCHEMBL6512697 | 0.75 | TDP1 (0.38) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL8440399 | 0.73 | TDP1 (0.58) | TDP1EYA2APPACEBLM |
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-2011082064-A1 | CHELATING AGENT MODIFIED GRAPHENE OXIDES, METHODS OF PREPARATION AND USE | MONTCLAIR STATE UNIVERSITY (US) | 2011-07-07 | — | — | WO | disclosed |