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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ICMT | O60725 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9092439 | 1.00 | TSHR (0.48) | TSHRHPGDCYP1A2GAATP53 | |
| SCHEMBL9091405 | 1.00 | TSHR (0.48) | TSHRHPGDCYP1A2GAATP53 | |
| SCHEMBL8964075 | 0.85 | TSHR (0.50) | TSHRHPGDCYP1A2GAATP53 | |
| SCHEMBL10357466 | 0.85 | TSHR (0.50) | TSHRHPGDCYP1A2GAATP53 | |
| SCHEMBL10330500 | 0.80 | KMT2A (0.58) | TSHRHPGDCYP1A2GAATP53 | |
| SCHEMBL7639416 | 0.79 | TSHR (0.51) | TSHRHPGDCYP1A2GAATP53 | |
| SCHEMBL7634558 | 0.79 | TSHR (0.51) | TSHRHPGDCYP1A2GAATP53 | |
| SCHEMBL21891714 | 0.78 | GAA (0.56) | TSHRHPGDCYP1A2GAATP53 | |
| Dodecanol SCHEMBL25303772 | 0.78 | TSHR (0.49) | TSHRHPGDTP53ALDH1A1LMNA | |
| SCHEMBL7517981 | 0.76 | HDAC6 (0.57) | HPGDGAAHDAC6NPC1JAK2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705591-A2 | Cyclic amidocarboxy surfactants, synthesis and use thereof | STEPAN COMPANY (US) | 1996-04-10 | — | — | EP | claimed |
| EP-0486510-A1 | CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF. | STEPAN CO (US) | 1992-05-27 | — | — | EP | claimed |
| WO-1991001970-A2 | CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF | STEPAN COMPANY (US) | 1991-02-21 | — | — | WO | claimed |
| EP-0705591-A2 | Cyclic amidocarboxy surfactants, synthesis and use thereof | STEPAN COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |
| EP-0486510-B1 | CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF | STEPAN CO (US) | 1996-02-14 | — | — | EP | disclosed |
| EP-0688601-A1 | Cyclic amidocarboxy surfactants, synthesis and use thereof | STEPAN COMPANY (US) | 1995-12-27 | — | — | EP | disclosed |
| EP-0486510-A1 | CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF. | STEPAN CO (US) | 1992-05-27 | — | — | EP | disclosed |
| WO-1991001970-A2 | CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF | STEPAN COMPANY (US) | 1991-02-21 | — | — | WO | disclosed |