Known targets — ChEMBL curated mechanism
DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA
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 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | EYA2 | O00167 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
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 SCHEMBL11234714 | 1.00 | KDM4E (0.52) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL9225804 | 0.93 | KDM4E (0.49) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL18221822 | 0.91 | KDM4E (0.61) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL49456 | 0.87 | TDP1 (0.64) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL9219962 | 0.85 | TDP1 (0.67) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL8893439 | 0.85 | TDP1 (0.67) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL9219984 | 0.85 | TDP1 (0.67) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL11797803 | 0.84 | TDP1 (0.50) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL27630273 | 0.83 | TDP1 (0.64) | KDM4EALOX15MAPTSMN1; SMN2TDP1 | |
| Edetic Acid SCHEMBL6347093 | 0.83 | TDP1 (0.70) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4342833-A | CHEMICALLY BONDED TO CYA OGEN BROMIDE ACTIVATED AGAROSE | BETHESDA RESEARCH LABORATORY (US) | 1982-08-03 | — | — | US | disclosed |