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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.52 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.41 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.44 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Silver SCHEMBL6737904 | 0.95 | CA1 (0.48) | CA1FOLH1BBOX1CA2FFAR3 | |
| SCHEMBL6737908 | 0.95 | CA1 (0.48) | CA1FOLH1BBOX1CA2FFAR3 | |
| SCHEMBL8157895 | 0.86 | NFKB1 (0.47) | CA1FOLH1BBOX1CA2FFAR3 | |
| SCHEMBL8151242 | 0.84 | NFKB1 (0.46) | CA1FOLH1BBOX1CA2FFAR3 | |
| SCHEMBL25362370 | 0.75 | — | — | |
| SCHEMBL7934101 | 0.74 | CA4 (0.52) | CA1CA2FFAR3HDAC3HDAC1 | |
| SCHEMBL29686680 | 0.72 | CA4 (0.56) | CA1FOLH1BBOX1CA2FFAR3 | |
| SCHEMBL1614090 | 0.72 | CA4 (0.56) | CA1FOLH1BBOX1CA2FFAR3 | |
| SCHEMBL29566757 | 0.72 | CA4 (0.56) | CA1FOLH1BBOX1CA2FFAR3 | |
| SCHEMBL28087027 | 0.71 | CA2 (0.57) | CA1CA2FFAR3HDAC3HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6156829-A | Product and process for making quaternized, water soluble vinylpyridine carboxylate polymers | ISP INVESTMENTS INC. (US) | 2000-12-05 | — | — | US | disclosed |