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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.43 |
| ▸ | ALOX5 known ✓ | P09917 | 2/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | OXTR | P30559 | 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 | |
|---|---|---|---|---|
| SCHEMBL8464946 | 0.83 | NR1I2 (0.52) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL2474604 | 0.82 | NR1I2 (0.54) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL13150446 | 0.82 | NR1I2 (0.51) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL14067085 | 0.77 | NR1I2 (0.46) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL9667393 | 0.77 | NR1I2 (0.46) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL10570347 | 0.76 | NR1I2 (0.52) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL8464945 | 0.75 | NR1I2 (0.45) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL10370247 | 0.75 | NR1I2 (0.45) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL18073997 | 0.73 | NR1I2 (0.43) | NR1I2LMNAMAOAHTR2AOPRK1 | |
| SCHEMBL10369199 | 0.73 | LMNA (0.64) | NR1I2LMNAMAOAHTR2AOPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-62022765-A | — | — | None | — | — | JP | disclosed |
| JP-S6222765-A | ALKALI METAL N-(6-ALKOXY-2-PYRIDYL)-N-ALKYLDITHIOCARBAMATE AND PRODUCTION THEREOF | SEITETSU KAGAKU CO LTD | 1987-01-30 | — | — | JP | disclosed |