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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.47 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.47 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.43 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.43 |
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.39 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.39 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.39 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.39 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 1/20 | 0.39 |
| ▸ | GABRG3 known ✓ | Q99928 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL729988 | 0.93 | HSD17B1 (0.50) | CA1CA2CA12CA7CA9 | |
| Potassium Ion SCHEMBL1012149 | 0.90 | HSD17B1 (0.50) | CA1CA2CA12CA7CA9 | |
| Zinc Ion SCHEMBL11175859 | 0.90 | HSD17B1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL39010 | 0.89 | CA12 (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL28126806 | 0.89 | CA12 (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27658957 | 0.88 | CA12 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27517848 | 0.88 | CA12 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL3873135 | 0.88 | CA12 (0.55) | CA1CA2CA12CA7CA9 | |
| Nitrous Acid SCHEMBL6129846 | 0.87 | CA12 (0.47) | CA1CA2CA12CA7CA9 | |
| Alcohol SCHEMBL28172459 | 0.86 | ALDH1A1 (0.53) | CA1CA2CA12CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1926388-B1 | LOW-FAT CONFECTIONERY PRODUCT | NESTEC SA (CH) | 2009-05-06 | — | — | EP | disclosed |