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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.38 |
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1244941 | 0.99 | CA1 (0.39) | CA2CA1GPR84NFKB1FDPS | |
| Potassium Ion SCHEMBL7100634 | 0.97 | CA2 (0.37) | CA2CA1GPR84NFKB1FDPS | |
| SCHEMBL8674327 | 0.82 | CA2 (0.36) | CA2CA1NFKB1 | |
| Ammonia Solution, Strong SCHEMBL7098912 | 0.81 | GPR84 (0.36) | GPR84FDPSTP53 | |
| Ammonia Solution, Strong SCHEMBL7098909 | 0.81 | GPR84 (0.36) | GPR84FDPSTP53 | |
| SCHEMBL7100637 | 0.81 | GPR84 (0.36) | GPR84FDPSTP53 | |
| SCHEMBL7095721 | 0.81 | GPR84 (0.36) | GPR84FDPSTP53 | |
| SCHEMBL2045547 | 0.81 | GPR84 (0.35) | CA2GPR84FDPSTP53 | |
| SCHEMBL1244942 | 0.80 | GPR84 (0.34) | CA2GPR84FDPSTP53 | |
| SCHEMBL7100296 | 0.77 | CYP3A4 (0.38) | CA2CA1NFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0964036-B1 | Water-based ball-point pen ink composition | PILOT INK CO LTD (JP) | 2003-08-27 | — | — | EP | disclosed |
| US-6261352-B1 | BETAINE, SULFO ESTER | THE PILOT INK CO., LTD. (JP) | 2001-07-17 | — | — | US | disclosed |
| EP-0964036-A2 | Water-based ball-point pen ink composition | THE PILOT INK CO., LTD. (JP) | 1999-12-15 | — | — | EP | disclosed |