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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.55 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.55 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.50 |
| ▸ | PPARA | Q07869 | 4/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6836035 | 1.00 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL124443 | 1.00 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL2588569 | 1.00 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL27182799 | 1.00 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL2591709 | 1.00 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| Methane SCHEMBL1953352 | 0.98 | PPARA (0.57) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL127011 | 0.98 | PPARA (0.56) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL29026598 | 0.95 | PPARA (0.59) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL126799 | 0.91 | CA1 (0.61) | PPARACA2CA1EPHX1CA12 | |
| SCHEMBL4450091 | 0.89 | PPARA (0.67) | PPARACA2CA1EPHX2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130123135-A1 | Methods To Identify Modulators of TAS2R48 Receptors | GIVAUDAN SA (CH) | 2013-05-16 | — | — | US | disclosed |
| US-20130115624-A1 | Methods To Identify Modulators | GIVAUDAN S.A. (CH) | 2013-05-09 | — | — | US | disclosed |
| EP-2567229-A1 | METHODS TO IDENTIFY MODULATORS | Givaudan SA (CH) | 2013-03-13 | — | — | EP | disclosed |
| EP-2567231-A1 | METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS | Givaudan SA (CH) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011138456-A1 | METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS | GIVAUDAN SA (CH) | 2011-11-10 | — | — | WO | disclosed |
| WO-2011138455-A1 | METHODS TO IDENTIFY MODULATORS | GIVAUDAN SA (CH) | 2011-11-10 | — | — | WO | disclosed |