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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.30 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL6736111 | 0.76 | TP53 (0.38) | CYP3A4TSHRNFKB1NPSR1 | |
| SCHEMBL2368442 | 0.74 | TP53 (0.36) | TSHRCA12CA2CA9 | |
| Ammonia Solution, Strong SCHEMBL28076220 | 0.74 | TP53 (0.36) | TSHR | |
| SCHEMBL29060644 | 0.67 | CA2 (0.46) | TSHRNFKB1CA2 | |
| SCHEMBL28445814 | 0.67 | TSHR (0.37) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL2350924 | 0.66 | — | — | |
| SCHEMBL21247111 | 0.66 | — | — | |
| SCHEMBL20526098 | 0.66 | — | — | |
| SCHEMBL9575743 | 0.65 | TSHR (0.36) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL29163968 | 0.65 | FDPS (0.33) | CYP3A4TSHRNFKB1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8633691-B2 | Liquid compositions and uses thereof for generating diffusion ordered NMR spectra of mixtures | Yissum Research Developemtn Comapny of the Hebrew University of Jerusalem (IL) | 2014-01-21 | — | — | US | disclosed |
| US-20110215806-A1 | LIQUID COMPOSITIONS AND USES THEREOF FOR GENERATING DIFFUSION ORDERED NMR SPECTRA OF MIXTURES | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) | 2011-09-08 | — | — | US | disclosed |
| WO-2010023673-A1 | LIQUID COMPOSITIONS AND USES THEREOF FOR GENERATING DIFFUSION ORDERED NMR SPECTRA OF MIXTURES | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) | 2010-03-04 | — | — | WO | disclosed |