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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.66 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | FABP3 | P05413 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL5460997 | 0.96 | CA2 (0.60) | CA2NFKB1GPR84CA1CYP3A4 | |
| 2-Ethylhexanoic Acid SCHEMBL9222984 | 0.91 | CA2 (0.76) | CA2NFKB1GPR84CA1FABP3 | |
| Sebacic Acid SCHEMBL8747721 | 0.89 | CA2 (0.72) | CA2NFKB1GPR84CA1FABP3 | |
| SCHEMBL28407013 | 0.88 | CA2 (0.64) | CA2NFKB1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL29893966 | 0.87 | CA2 (0.70) | CA2NFKB1GPR84FABP3 | |
| 2-Ethylhexanoic Acid SCHEMBL31503113 | 0.87 | CA2 (0.70) | CA2NFKB1GPR84CA1FABP3 | |
| Stearic Acid SCHEMBL8665090 | 0.87 | CA2 (0.70) | CA2NFKB1GPR84CA1FABP3 | |
| Stearic Acid SCHEMBL17707712 | 0.87 | CA2 (0.70) | CA2NFKB1GPR84CA1FABP3 | |
| SCHEMBL1377800 | 0.87 | CA2 (0.79) | CA2NFKB1GPR84CA1CYP3A4 | |
| SCHEMBL3368577 | 0.87 | CA2 (0.79) | CA2NFKB1GPR84CA1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110021697-A1 | METHODS FOR PREPARING POLYETHER ESTER ELASTOMER COMPOSITION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-01-27 | — | — | US | disclosed |
| US-20080103217-A1 | Polyether ester elastomer composition | E. I. DU PONT DE NEMOURS AND COMPANY | 2008-05-01 | — | — | US | disclosed |
| EP-1114095-B1 | NUCLEATING AGENT FOR POLYESTERS | DU PONT (US) | 2003-06-04 | — | — | EP | disclosed |
| WO-2002074837-A1 | IMPROVED CRYSTALLIZATION POLYESTER COPOLYMERS | ATOFINA (FR) | 2002-09-26 | — | — | WO | disclosed |
| EP-1114095-A1 | NUCLEATING AGENT FOR POLYESTERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2001-07-11 | — | — | EP | disclosed |
| US-6245844-B1 | MONO-SODIUM SALT OF A DICARBOXYLIC ACID | E. I. DU PONT DE NEMOURS AND COMPANY | 2001-06-12 | — | — | US | disclosed |
| WO-2000017265-A1 | NUCLEATING AGENT FOR POLYESTERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-03-30 | — | — | WO | disclosed |