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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.38 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL1419497 | 0.78 | SLC1A3 (0.39) | CA1 | |
| SCHEMBL13717271 | 0.78 | CA2 (0.52) | CA1CA2CYP3A4TSHRNFKB1 | |
| SCHEMBL4338846 | 0.77 | SLC1A3 (0.38) | CA1 | |
| Potassium Ion SCHEMBL15239714 | 0.68 | — | — | |
| SCHEMBL7674705 | 0.67 | — | — | |
| SCHEMBL5414488 | 0.64 | CA2 (0.32) | CA2CYP3A4TSHRNFKB1NPSR1 | |
| SCHEMBL5050237 | 0.64 | CA1 (0.58) | CA1CA2TSHRNFKB1 | |
| SCHEMBL6680256 | 0.64 | CA1 (0.58) | CA1CA2TSHRNFKB1 | |
| Lithium Ion SCHEMBL28501018 | 0.62 | — | — | |
| SCHEMBL1330920 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2071032-A2 | The use of enzymatic resolution for the preparation of intermediates of pregabalin | Teva Pharmaceutical Industries Ltd (IL) | 2009-06-17 | — | — | EP | disclosed |
| EP-1913147-A2 | THE USE OF ENZYMATIC RESOLUTION FOR THE PREPARATION OF INTERMEDIATES OF PREGABALIN | Teva Pharmaceutical Industries Ltd (IL) | 2008-04-23 | — | — | EP | disclosed |
| US-20080026433-A1 | Use of enzymatic resolution for the preparation of intermediates of pregabalin | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2008-01-31 | — | — | US | disclosed |
| WO-2007143113-A2 | THE USE OF ENZYMATIC RESOLUTION FOR THE PREPARATION OF INTERMEDIATES OF PREGABALIN | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-12-13 | — | — | WO | disclosed |