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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL51224 | 0.86 | CA2 (0.45) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL31061740 | 0.85 | CA2 (0.46) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL9949600 | 0.83 | CA2 (0.43) | CA2CA1NFKB1CYP3A4TSHR | |
| Lithium Ion SCHEMBL20526054 | 0.83 | CA2 (0.43) | CA2CA1NFKB1CYP3A4TSHR | |
| Potassium Ion SCHEMBL817853 | 0.83 | CA2 (0.43) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL2425803 | 0.83 | CA2 (0.43) | CA2CA1NFKB1CYP3A4TSHR | |
| Silver SCHEMBL2027794 | 0.83 | CA2 (0.43) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL2206842 | 0.82 | CA1 (0.41) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL7186179 | 0.81 | NFKB1 (0.37) | CA2CA1NFKB1CYP3A4TSHR | |
| SCHEMBL587186 | 0.81 | CA2 (0.33) | CA2CA1NFKB1CYP3A4TSHR |
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-5010132-A | Water-base paint for coating the inside surface of metallic can | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-04-23 | — | — | US | disclosed |
| EP-0367493-A2 | Process for coating the inside surface of a metallic can with a water-base paint | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1990-05-09 | — | — | EP | disclosed |