Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Nitrilotriacetic 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 | |
|---|---|---|---|---|
| ▸ | GLRA1 | P23415 | 1/20 | 0.59 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.59 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | EYA2 | O00167 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | ACE | P12821 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | BLM | P54132 | 3/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Nitrilotriacetic Acid SCHEMBL4015790 | 0.97 | GLRA1 (0.62) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Nitrilotriacetic Acid SCHEMBL2327453 | 0.87 | TDP1 (0.69) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Edetic Acid SCHEMBL6831769 | 0.86 | TDP1 (0.78) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Nitrilotriacetic Acid SCHEMBL19893757 | 0.85 | TDP1 (0.58) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Nitrilotriacetic Acid SCHEMBL10894665 | 0.84 | TDP1 (0.65) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Nitrilotriacetic Acid SCHEMBL9771757 | 0.84 | TDP1 (0.73) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Nitrilotriacetic Acid SCHEMBL670055 | 0.84 | TDP1 (0.73) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Nitrilotriacetic Acid SCHEMBL20409 | 0.84 | TDP1 (0.73) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Nitrilotriacetic Acid SCHEMBL8463064 | 0.84 | TDP1 (0.73) | GLRA1SLC6A9OR51E2TDP1EYA2 | |
| Edetic Acid SCHEMBL6830888 | 0.83 | TDP1 (0.74) | GLRA1SLC6A9OR51E2TDP1EYA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105985251-A | Clean production process for amino acids such as iminodiacetic acid | 北京紫光英力化工技术有限公司 | 2016-10-05 | — | — | CN | disclosed |