Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 4/20 | 0.45 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL21242212 | 0.76 | TDP1 (0.48) | ALOX5KDM4EALOX15 | |
| Nitrilotriacetic Acid SCHEMBL1684921 | 0.74 | KDM4E (0.52) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL93358 | 0.74 | KDM4E (0.59) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL8633448 | 0.72 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL213012 | 0.72 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL11677912 | 0.72 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL31195369 | 0.72 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL11337509 | 0.72 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL16506703 | 0.72 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| SCHEMBL1378741 | 0.70 | ALOX5 (0.52) | ALOX5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3746535-A1 | COMPOSITIONS COMPRISING AMINOCARBOXYLATE CHELATING AGENTS | Eastman Chemical Company (US) | 2020-12-09 | — | — | EP | claimed |
| WO-2019152208-A1 | COMPOSITIONS COMPRISING AMINOCARBOXYLATE CHELATING AGENTS | EASTMAN CHEMICAL COMPANY (US) | 2019-08-08 | — | — | WO | claimed |
| US-11713435-B2 | Aminocarboxylate chelating agents and detergent compositions containing them | EASTMAN CHEMICAL COMPANY (US) | 2023-08-01 | — | — | US | disclosed |
| EP-3746535-A1 | COMPOSITIONS COMPRISING AMINOCARBOXYLATE CHELATING AGENTS | Eastman Chemical Company (US) | 2020-12-09 | — | — | EP | disclosed |
| WO-2019152208-A1 | COMPOSITIONS COMPRISING AMINOCARBOXYLATE CHELATING AGENTS | EASTMAN CHEMICAL COMPANY (US) | 2019-08-08 | — | — | WO | disclosed |