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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.96 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.64 |
| ▸ | FDPS known ✓ | P14324 | 3/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.45 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8586952 | 1.00 | CA1 (0.96) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL1998732 | 1.00 | CA1 (0.96) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL17581512 | 1.00 | CA1 (0.96) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL28727420 | 1.00 | CA1 (0.96) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL28727500 | 1.00 | CA1 (0.96) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL8978718 | 1.00 | CA1 (0.96) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL15022175 | 0.98 | CA1 (0.95) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL8678860 | 0.98 | CA1 (1.00) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL15022016 | 0.98 | CA1 (0.95) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL15022951 | 0.98 | CA1 (0.95) | CA1CA2GPR84NFKB1ACE2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105112464-A | Structural fat and special diet containing same | CABIO BIOENGINEERING WUHAN CO LTD | 2015-12-02 | — | — | CN | disclosed |
| CN-104830545-A | Structural grease containing 1, 3-di-unsaturated fatty acid-2-palmitic acid and preparation method thereof | CABIO BIOENGINEERING WUHAN CO LTD | 2015-08-12 | — | — | CN | disclosed |