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 | |
|---|---|---|---|---|
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.35 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.35 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.35 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 1/20 | 0.35 |
| ▸ | GABRG3 known ✓ | Q99928 | 1/20 | 0.35 |
| ▸ | GABRQ known ✓ | Q9UN88 | 1/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.34 |
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.34 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8758348 | 0.88 | KDM4E (0.38) | TSHRCYP1A2ALDH1A1KDM4EHPGD | |
| SCHEMBL195882 | 0.84 | CYP1A2 (0.44) | TSHRHAAOCYP1A2ALDH1A1KDM4E | |
| SCHEMBL9408349 | 0.82 | HAAO (0.42) | TSHRHAAOCYP1A2ALDH1A1KDM4E | |
| Ammonia Solution, Strong SCHEMBL28622226 | 0.82 | HAAO (0.42) | TSHRHAAOCYP1A2ALDH1A1KDM4E | |
| Water SCHEMBL27552128 | 0.82 | HAAO (0.42) | TSHRHAAOCYP1A2ALDH1A1KDM4E | |
| SCHEMBL9249101 | 0.82 | HAAO (0.42) | TSHRHAAOCYP1A2ALDH1A1KDM4E | |
| Sulfuric Acid SCHEMBL4611664 | 0.81 | METAP2 (0.39) | TSHRHAAOCYP1A2ALDH1A1KDM4E | |
| Sulfuric Acid SCHEMBL4611666 | 0.80 | METAP2 (0.38) | TSHRHAAOCYP1A2ALDH1A1KDM4E | |
| SCHEMBL7861237 | 0.80 | HAAO (0.41) | TSHRHAAOCYP1A2ALDH1A1KDM4E | |
| Cyclohexane SCHEMBL9558619 | 0.78 | HAAO (0.40) | TSHRHAAOCYP1A2ALDH1A1KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1648953-B1 | SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS AND SHAPED ARTICLES PRODUCED THEREFROM | DU PONT (US) | 2011-10-05 | — | — | EP | disclosed |
| EP-1631613-B1 | SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS AND SHAPED ARTICLES PRODUCED THEREFROM | DU PONT (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1414884-B1 | SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS | DU PONT (US) | 2007-05-16 | — | — | EP | disclosed |
| EP-1648953-A1 | SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS AND SHAPED ARTICLES PRODUCED THEREFROM | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005012390-A1 | SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS AND SHAPED ARTICLES PRODUCED THEREFROM | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2005-02-10 | — | — | WO | disclosed |
| EP-1414884-A1 | SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003014184-A1 | SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-02-20 | — | — | WO | disclosed |