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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 3/20 | 0.40 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.40 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.40 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.40 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.40 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.40 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.40 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17537121 | 0.86 | HTR1A (0.31) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| SCHEMBL29091293 | 0.85 | GPR84 (0.38) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| Potassium Ion SCHEMBL17537210 | 0.84 | HTR1A (0.31) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| Potassium Ion SCHEMBL28000212 | 0.84 | HTR1A (0.31) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| SCHEMBL11243890 | 0.83 | GABRA1 (0.43) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| SCHEMBL13152411 | 0.82 | GABRA1 (0.41) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| SCHEMBL29158139 | 0.80 | GABRA1 (0.45) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| SCHEMBL29103074 | 0.80 | GABRA1 (0.40) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| SCHEMBL195025 | 0.80 | INPPL1 (0.53) | GABRA1GABRB2GABRG2GABRB3LMNA | |
| SCHEMBL13823815 | 0.78 | GABRA1 (0.43) | GABRA1GABRB2GABRG2GABRB3LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101575349-B | Method for preparing propofol organic phosphate disodium salt | GUANGZHOU INST OF CHEMISTRY | 2011-07-20 | — | — | CN | disclosed |
| WO-2011079807-A1 | DIPROPOFOL PYROPHOSPHATE DIHYDROGEN ESTER AND PHARMACEUTICALLY ACCEPTABLE SALT, PREPARATION PROCESS AND APPLICATION THEREOF | 西藏海思科药业集团股份有限公司 (CN) | 2011-07-07 | — | — | WO | disclosed |
| CN-101575349-A | Method for preparing propofol organic phosphate disodium salt | GUANGZHOU INST OF CHEMISTRY (CN) | 2009-11-11 | — | — | CN | disclosed |