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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.46 |
| ▸ | CA12 known ✓ | O43570 | 5/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.38 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.38 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.32 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GSDMD | P57764 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.38 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL689389 | 0.94 | — | — | |
| Selenium SCHEMBL1617421 | 0.91 | ABCB11 (0.48) | ABCB11HTTGSDMDCYP2E1PTGS1 | |
| Water SCHEMBL163315 | 0.91 | ABCB11 (0.48) | ABCB11HTTGSDMDCYP2E1PTGS1 | |
| SCHEMBL3504207 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL5692533 | 0.91 | — | — | |
| SCHEMBL8722334 | 0.91 | ABCB11 (0.48) | ABCB11HTTGSDMDCYP2E1PTGS1 | |
| SCHEMBL10901417 | 0.86 | HTT (0.43) | ABCB11HTTGSDMDCYP2E1PTGS1 | |
| Diethylamine SCHEMBL8672658 | 0.81 | ABCB11 (0.40) | ABCB11HTTGSDMDCYP2E1PTGS1 | |
| SCHEMBL6195760 | 0.78 | — | — | |
| SCHEMBL24452951 | 0.74 | ABCB11 (0.44) | ABCB11HTTGSDMDCYP2E1PTGS1 |
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-6911570-B2 | Method for fixating sludges and soils contaminated with mercury and other heavy metals | ADA TECHNOLOGIES, INC. (US) | 2005-06-28 | — | — | US | disclosed |
| US-20020106317-A1 | Method for fixating sludges and soils contaminated with mercury and other heavy metals | PNC BANK, NATIONAL ASSOCIATION, AS AGENT | 2002-08-08 | — | — | US | disclosed |
| WO-2002043814-A1 | IMPROVED METHOD FOR FIXATING SLUDGES AND SOILS CONTAMINATED WITH MERCURY AND OTHER HEAVY METALS | ADA TECHNOLOGIES, INC. (US) | 2002-06-06 | — | — | WO | disclosed |