Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.70 |
| ▸ | EYA2 | O00167 | 1/20 | 0.70 |
| ▸ | APP | P05067 | 1/20 | 0.70 |
| ▸ | ACE | P12821 | 1/20 | 0.70 |
| ▸ | BLM | P54132 | 3/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.67 |
| ▸ | DRD1 | P21728 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | DRD3 | P35462 | 1/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.67 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.67 |
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 SCHEMBL12275301 | 0.97 | TDP1 (0.74) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL57815 | 0.95 | TDP1 (0.78) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL3881101 | 0.95 | TDP1 (0.78) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL14632752 | 0.92 | TDP1 (0.74) | TDP1EYA2APPACEBLM | |
| Pentetic Acid SCHEMBL6913169 | 0.92 | TDP1 (0.79) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL28036095 | 0.92 | TDP1 (0.74) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL7150313 | 0.90 | TDP1 (0.70) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL23455628 | 0.89 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL21332394 | 0.89 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL21436997 | 0.89 | TDP1 (0.88) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5766931-A | Composition and methods for destroying hydrogen peroxide | ALLERGAN (US) | 1998-06-16 | — | — | US | disclosed |
| US-5521091-A | NON-MAMMALIAN-DERIVED CATALASE | ALLERGAN, INC. (US) | 1996-05-28 | — | — | US | disclosed |
| US-5362647-A | Contact lens disinfecting | ALLERGAN, INC. (US) | 1994-11-08 | — | — | US | disclosed |