Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | EYA2 | O00167 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
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 SCHEMBL10890157 | 0.86 | KDM4E (0.52) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| Nitrilotriacetic Acid SCHEMBL7858831 | 0.83 | KDM4E (0.50) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| Nitrilotriacetic Acid SCHEMBL9624643 | 0.83 | KDM4E (0.50) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| Edetic Acid SCHEMBL4516775 | 0.80 | KDM4E (0.68) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| SCHEMBL1418295 | 0.80 | KDM4E (0.61) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| Nitrilotriacetic Acid SCHEMBL23358712 | 0.80 | KDM4E (0.52) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| Nitrilotriacetic Acid SCHEMBL10664583 | 0.80 | KDM4E (0.52) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| Nitrilotriacetic Acid SCHEMBL11684108 | 0.80 | KDM4E (0.52) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| Nitrilotriacetic Acid SCHEMBL3482707 | 0.80 | KDM4E (0.52) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 | |
| Nitrilotriacetic Acid SCHEMBL1284701 | 0.80 | KDM4E (0.59) | KDM4EALOX15MAPTSMN1; SMN2FFAR3 |
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-4532217-A | Biological uses of shift reagents for the nuclear magnetic resonance of physiological metal cations | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1985-07-30 | — | — | US | disclosed |