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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 2/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4773215 | 1.00 | NR1I2 (0.50) | NR1I2NAAACTRCHTR2AASAH1 | |
| SCHEMBL11091808 | 1.00 | NR1I2 (0.50) | NR1I2NAAACTRCHTR2AASAH1 | |
| SCHEMBL194471 | 1.00 | NR1I2 (0.50) | NR1I2NAAACTRCHTR2AASAH1 | |
| SCHEMBL28414078 | 1.00 | NR1I2 (0.50) | NR1I2NAAACTRCHTR2AASAH1 | |
| SCHEMBL11519233 | 1.00 | NR1I2 (0.50) | NR1I2NAAACTRCHTR2AASAH1 | |
| SCHEMBL4004094 | 0.97 | NR1I2 (0.47) | NR1I2NAAACTRCHTR2AASAH1 | |
| SCHEMBL8030244 | 0.97 | NR1I2 (0.47) | NR1I2NAAACTRCHTR2AASAH1 | |
| SCHEMBL8024763 | 0.97 | NR1I2 (0.47) | NR1I2NAAACTRCHTR2AASAH1 | |
| SCHEMBL8014431 | 0.97 | NR1I2 (0.47) | NR1I2NAAACTRCHTR2AASAH1 | |
| Potassium Ion SCHEMBL10982840 | 0.97 | NR1I2 (0.47) | NR1I2NAAACTRCHTR2AASAH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4152306-A | WATER, ALKALI METAL PHOSPHATE, SODIUM ALKYLBENZENESULFONATE, ALKOXYALKANOL | LDMJ Limited (US) | 1979-05-01 | — | — | US | disclosed |
| US-3982950-A | MEROCYANINE DYES | FUJI PHOTO FILM CO., LTD. (JA) | 1976-09-28 | — | — | US | disclosed |