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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.39 |
| ▸ | CA4 known ✓ | P22748 | 4/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15022121 | 0.94 | FFAR3 (0.36) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Silver SCHEMBL17797184 | 0.94 | FFAR3 (0.36) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4957927 | 0.94 | FFAR3 (0.36) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Lithium Ion SCHEMBL18321792 | 0.94 | FFAR3 (0.36) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Potassium Ion SCHEMBL2349658 | 0.94 | CA4 (0.37) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6818429 | 0.94 | FFAR3 (0.36) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL11649902 | 0.91 | FFAR3 (0.35) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Tetramethylammonium Ion SCHEMBL2348519 | 0.88 | BBOX1 (0.38) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7906334 | 0.86 | FFAR3 (0.36) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL31355104 | 0.84 | FFAR3 (0.40) | FFAR3HDAC3HDAC1HDAC2HDAC8 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922564-B | Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups | 赢创运营有限公司 | 2021-10-19 | — | — | CN | disclosed |
| US-10759892-B2 | Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate reactive groups | EVONIK OPERATIONS GMBH (DE) | 2020-09-01 | — | — | US | disclosed |
| US-20180179318-A1 | TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS | EVONIK OPERATIONS GMBH (DE) | 2018-06-28 | — | — | US | disclosed |
| EP-3310827-A1 | TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS | Evonik Degussa GmbH (DE) | 2018-04-25 | — | — | EP | disclosed |
| WO-2016201675-A1 | TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2016-12-22 | — | — | WO | disclosed |
| WO-2008013618-A1 | PROCESS FOR PREPARING ALKYNE INTERMEDIATES FOR DENDRITIC POLYMERS | DENDRITIC NANOTECHNOLOGIES, INC. (US) | 2008-01-31 | — | — | WO | disclosed |