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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.30 |
| ▸ | CRAT | P43155 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9192152 | 1.00 | EPHX2 (0.43) | EPHX2CA4CA2CTSLNFKB1 | |
| SCHEMBL10801435 | 0.84 | CA4 (0.44) | EPHX2CA4CA2CTSLNFKB1 | |
| SCHEMBL9548511 | 0.80 | CA4 (0.41) | EPHX2CA4CA2CTSLFOLH1 | |
| SCHEMBL9548523 | 0.80 | CA4 (0.41) | EPHX2CA4CA2CTSLFOLH1 | |
| SCHEMBL2911531 | 0.77 | CA4 (0.46) | EPHX2CA4CA2CTSLNFKB1 | |
| SCHEMBL7789641 | 0.77 | CA4 (0.46) | EPHX2CA4CA2CTSLNFKB1 | |
| SCHEMBL10917487 | 0.77 | EPHX2 (0.43) | EPHX2CA4CA2CTSLNFKB1 | |
| SCHEMBL10917479 | 0.77 | EPHX2 (0.43) | EPHX2CA4CA2CTSLNFKB1 | |
| SCHEMBL21835151 | 0.76 | CA4 (0.38) | EPHX2CA4CA2CTSLFOLH1 | |
| SCHEMBL1527764 | 0.76 | CA4 (0.38) | EPHX2CA4CA2CTSLFOLH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0412697-B1 | N, N'-(1-oxo-1,2-ethanediyl)-bis (aspartic acid), salts and use in detergent compositions | PROCTER & GAMBLE (US) | 1995-10-18 | — | — | EP | disclosed |
| EP-0412697-A2 | N, N'-(1-oxo-1,2-ethanediyl)-bis (aspartic acid), salts and use in detergent compositions | THE PROCTER & GAMBLE COMPANY (US) | 1991-02-13 | — | — | EP | disclosed |
| US-4983315-A | BIODEGRADATION | THE PROCTER & GAMBLE COMPANY (US) | 1991-01-08 | — | — | US | disclosed |