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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.41 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.40 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 6/20 | 0.41 |
| ▸ | CNR1 | P21554 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9181809 | 0.84 | TDP1 (0.44) | ALDH1A1KMT2AMEN1HPGDL3MBTL1 | |
| SCHEMBL5945169 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL30302484 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP3A4KMT2AMEN1HPGD | |
| SCHEMBL6854169 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP3A4KMT2AMEN1HPGD | |
| SCHEMBL5499804 | 0.80 | CA12 (0.55) | ALDH1A1KMT2AMEN1MAPTHPGD | |
| SCHEMBL11526370 | 0.79 | RAB9A (0.53) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL8773481 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP3A4KMT2AMEN1HPGD | |
| SCHEMBL11523408 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL7029934 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL7036831 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4KMT2ATSHRSMN1; SMN2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929600-A | Process for separating 3- (diethylamino) sodium benzenesulfonate and sodium chloride | 赤峰市恒荣化工有限公司 | 2022-01-14 | — | — | CN | claimed |
| CN-113929600-A | Process for separating 3- (diethylamino) sodium benzenesulfonate and sodium chloride | 赤峰市恒荣化工有限公司 | 2022-01-14 | — | — | CN | disclosed |
| CN-113929600-A | Process for separating 3- (diethylamino) sodium benzenesulfonate and sodium chloride | 赤峰市恒荣化工有限公司 | 2022-01-14 | — | — | CN | disclosed |
| CN-113929600-A | Process for separating 3- (diethylamino) sodium benzenesulfonate and sodium chloride | 赤峰市恒荣化工有限公司 | 2022-01-14 | — | — | CN | disclosed |
| US-6746526-B1 | HAVING AT LEAST HYDROXY-, AMINO- AND SULPHATO- ARYL SUBSTITUTION | AVECIA LIMITED (GB) | 2004-06-08 | — | — | US | disclosed |
| EP-1228149-B1 | DISAZO DYESTUFFS FOR INK JET PRINTING | AVECIA LTD (GB) | 2004-04-14 | — | — | EP | disclosed |
| EP-1228149-A1 | DISAZO DYESTUFFS FOR INK JET PRINTING | Avecia Limited (GB) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001030917-A1 | DISAZODYESTUFFS FOR INK JET PRINTING | AVECIA LIMITED (GB) | 2001-05-03 | — | — | WO | disclosed |
| EP-0477373-B1 | METAL CHELATE COMPOUND AND OPTICAL RECORDING MEDIUM COMPRISING THE SAME | MITSUBISHI CHEM CORP (JP) | 1997-11-05 | — | — | EP | disclosed |
| EP-0446675-B1 | Process for the preparation of sodium 3-diethylaminobenzene-sulfonate | BASF AG (DE) | 1993-12-08 | — | — | EP | disclosed |
| EP-0446649-B1 | Process for the preparation of sodium 3-diethylaminobenzene-sulfonate | BASF AG (DE) | 1993-11-10 | — | — | EP | disclosed |
| US-5231173-A | DISAZO METAL CHELATE COMPOUNDS FOR OPTICAL RECORDING MEDIA | MITSUBISHI KASEI CORPORATION (JP) | 1993-07-27 | — | — | US | disclosed |
| EP-0477373-A1 | METAL CHELATE COMPOUND AND OPTICAL RECORDING MEDIUM COMPRISING THE SAME | Mitsubishi Chemical Corporation (JP) | 1992-04-01 | — | — | EP | disclosed |
| EP-0446649-A1 | Process for the preparation of sodium 3-diethylaminobenzene-sulfonate | BASF Aktiengesellschaft (DE) | 1991-09-18 | — | — | EP | disclosed |
| EP-0446675-A1 | Process for the preparation of sodium 3-diethylaminobenzene-sulfonate | BASF Aktiengesellschaft (DE) | 1991-09-18 | — | — | EP | disclosed |