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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.55 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.38 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9487812 | 1.00 | CA1 (0.55) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL9485777 | 0.82 | GPR84 (0.50) | CA1GPR84ACE2FFAR1MAPT | |
| SCHEMBL9486368 | 0.82 | GPR84 (0.50) | CA1GPR84ACE2FFAR1MAPT | |
| SCHEMBL5903615 | 0.78 | CA1 (0.59) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL4939647 | 0.78 | CA1 (0.59) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL18106348 | 0.77 | CA1 (0.57) | CA1CA2GPR84NFKB1ACE2 | |
| SCHEMBL9487177 | 0.75 | CA1 (0.53) | CA1CA2GPR84NFKB1 | |
| SCHEMBL2234863 | 0.75 | GPR84 (0.56) | CA1CA2GPR84NFKB1FFAR1 | |
| SCHEMBL9487807 | 0.75 | CA1 (0.53) | CA1CA2GPR84NFKB1 | |
| SCHEMBL8978718 | 0.74 | CA1 (0.96) | 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 |
|---|---|---|---|---|---|---|---|
| US-5260051-A | Surfactants, soaps, toothpastes | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1993-11-09 | — | — | US | disclosed |
| EP-0493927-A1 | Phosphate esters and compositions containing them | UNILEVER PLC (GB) | 1992-07-08 | — | — | EP | disclosed |