Propofol

Propofol

SCHEMBL13277157

CC(C)c1cccc(C(C)C)c1O.NC(=O)O

nearest known ligand 0.74

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 4/20 0.74
GABRB1 known ✓ P18505 2/20 0.74
GABRB2 known ✓ P47870 2/20 0.74
GABRG2 known ✓ P18507 2/20 0.74
GABRB3 known ✓ P28472 2/20 0.74
GABRA5 known ✓ P31644 1/20 0.74
GABRA3 known ✓ P34903 1/20 0.74
GABRA2 known ✓ P47869 1/20 0.74
GABRA4 known ✓ P48169 1/20 0.74
GABRA6 known ✓ Q16445 1/20 0.74
LMNA P02545 3/20 0.74
CA1 P00915 2/20 0.74
CA2 P00918 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
FAAH O00519 1/20 0.74
HPGD P15428 1/20 0.74
TSHR P16473 1/20 0.74
PTGS1 P23219 1/20 0.74
SLC6A2 P23975 1/20 0.74

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 SCHEMBL4023094 0.91 GABRA1 (0.81) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL4022545 0.87 GABRA1 (0.74) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL36245 0.86 GABRA1 (1.00) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL2414429 0.86 GABRA1 (1.00) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL2678655 0.86 GABRA1 (0.65) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL29792946 0.85 GABRA1 (0.71) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL1033835 0.84 GABRA1 (0.94) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL10968613 0.84 GABRA1 (0.94) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL10968616 0.84 GABRA1 (0.94) GABRA1LMNAGABRB1GABRB2GABRG2
Propofol SCHEMBL5036811 0.84 GABRA1 (0.94) GABRA1LMNAGABRB1GABRB2GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103781472-B Synthesis and use of propofol glycoside derivatives 纽泰克制药有限公司 2016-08-17 CN disclosed
US-9023813-B2 Synthesis and use of glycoside derivatives of propofol NuTek Pharma Ltd. (US) 2015-05-05 US disclosed
CN-103781472-A Synthesis and use of propofol glycoside derivatives NUTEK PHARMA LTD 2014-05-07 CN disclosed
CN-103702670-A Synthesis and use of glycoside pro-drug analogs NUTEK PHARMA LTD 2014-04-02 CN disclosed
US-20120295866-A1 Synthesis And Use Of Glycoside Pro-Drug Analogs NuTek Pharma Ltd. 2012-11-22 US disclosed
US-20120264702-A1 Synthesis And Use Of Glycoside Derivatives of Propofol NuTek Pharma Ltd. 2012-10-18 US disclosed
WO-2012142147-A2 SYNTHESIS AND USE OF GLYCOSIDE DERIVATIVES OF PROPOFOL NuTek Pharma Ltd. (US) 2012-10-18 WO disclosed
WO-2012142141-A1 SYNTHESIS AND USE OF GLYCOSIDE PRO-DRUG ANALOGS NuTek Pharma Ltd. (US) 2012-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120295866-A1 Synthesis And Use Of Glycoside Pro-Drug Analogs GCG, CYP3A5, UGT1A6 GABRA1 2014/4885GABRB1 2448/4885GABRB2 2594/4885
US-20120264702-A1 Synthesis And Use Of Glycoside Derivatives of Propofol CYP3A5, CYP3A4, UGT1A4 GABRA1 193/4885GABRB1 362/4885GABRB2 323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.