Propofol

Propofol

SCHEMBL23201528

CC(C)c1cccc(C(C)C)c1O.O=[N+]([O-])O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Propofol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 7/20 0.71
GABRB1 known ✓ P18505 5/20 0.71
GABRB2 known ✓ P47870 3/20 0.71
GABRG2 known ✓ P18507 2/20 0.71
GABRB3 known ✓ P28472 2/20 0.71
GABRA5 known ✓ P31644 1/20 0.71
GABRA3 known ✓ P34903 1/20 0.71
GABRA2 known ✓ P47869 1/20 0.71
GABRA4 known ✓ P48169 1/20 0.71
GABRA6 known ✓ Q16445 1/20 0.71
CYP1A2 P05177 3/20 0.71
CYP3A4 P08684 3/20 0.71
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
LMNA P02545 2/20 0.71
FAAH O00519 1/20 0.71
HPGD P15428 1/20 0.71
TSHR P16473 1/20 0.71
PTGS1 P23219 1/20 0.71
SLC6A2 P23975 1/20 0.71

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.

Compoundsimilaritytop predictedshared targets
Propofol SCHEMBL2414429 0.84 GABRA1 (1.00) GABRA1GABRB1GABRB2CYP1A2CYP3A4
Propofol SCHEMBL36245 0.84 GABRA1 (1.00) GABRA1GABRB1GABRB2CYP1A2CYP3A4
SCHEMBL102131 0.82 GPR35 (0.64) GABRA1GABRB1GABRB2CYP1A2CYP3A4
Propofol SCHEMBL1033835 0.82 GABRA1 (0.94) GABRA1GABRB1GABRB2CYP1A2CYP3A4
Propofol SCHEMBL5036811 0.82 GABRA1 (0.94) GABRA1GABRB1GABRB2CYP1A2CYP3A4
Propofol SCHEMBL10968616 0.82 GABRA1 (0.94) GABRA1GABRB1GABRB2CYP1A2CYP3A4
Propofol SCHEMBL10968613 0.82 GABRA1 (0.94) GABRA1GABRB1GABRB2CYP1A2CYP3A4
Propofol SCHEMBL8935177 0.82 GABRA1 (0.94) GABRA1GABRB1GABRB2CYP1A2CYP3A4
Propofol SCHEMBL4088686 0.82 GABRA1 (0.94) GABRA1GABRB1GABRB2CYP1A2CYP3A4
Propofol SCHEMBL5087474 0.82 GABRA1 (0.94) GABRA1GABRB1GABRB2CYP1A2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111432858-B Drug infusion device, system and method 埃皮森特RX股份有限公司 2024-06-25 CN disclosed
CN-115243741-A Drug infusion device, system and method 埃皮辛特瑞柯斯公司 2022-10-25 CN disclosed
US-20210244870-A1 MEDICATION INFUSION DEVICES, SYSTEMS, AND METHODS EPICENTRX, INC. 2021-08-12 US disclosed
US-20210178050-A1 MEDICATION INFUSION DEVICES, SYSTEMS, AND METHODS EPICENTRX, INC. 2021-06-17 US disclosed
WO-2021119433-A1 MEDICATION INFUSION DEVICES, SYSTEMS, AND METHODS EPICENTRX, INC. (US) 2021-06-17 WO disclosed
EP-3801678-A1 MEDICATION INFUSION DEVICES, SYSTEMS, AND METHODS EpicentRx, Inc. (US) 2021-04-14 EP disclosed
CN-111432858-A Drug infusion device, system and method 埃皮森特RX股份有限公司 2020-07-17 CN disclosed