Ritonavir

Ritonavir

SCHEMBL23927481

CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1.OO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP3A4CYP3A43CYP3A5CYP3A7pol

The experimentally established mechanism targets of Ritonavir. 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
CYP3A4 known ✓ P08684 20/20 1.00
CYP3A5 known ✓ P20815 1/20 1.00
CYP3A7 known ✓ P24462 1/20 1.00
CYP3A43 known ✓ Q9HB55 1/20 1.00
CYP2D6 P10635 6/20 1.00
CYP2C19 P33261 3/20 1.00
CYP2C9 P11712 3/20 1.00
MEN1 O00255 1/20 1.00
SLC22A2 O15244 1/20 1.00
SLC22A1 O15245 1/20 1.00
ABCC3 O15438 1/20 1.00
ABCC4 O15439 1/20 1.00
MLNR O43193 1/20 1.00
NR1I2 O75469 1/20 1.00
SLCO2B1 O94956 1/20 1.00
ABCB11 O95342 1/20 1.00
ALDH1A1 P00352 1/20 1.00
PGR P06401 1/20 1.00
ABCB1 P08183 1/20 1.00
HTR1A P08908 1/20 1.00

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
Ritonavir SCHEMBL6679 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL7531251 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL825767 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL17787453 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL24777041 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL7806137 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL12175481 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL20257193 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL3178401 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL20322359 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954520-A2 FRACTIONAL LOBE PROCESSOR, AND RELATED METHOD OF HOT MELT FRAGMENTATION Steerlife India Private Limited (IN) 2022-02-16 EP disclosed
EP-3445558-B1 FRACTIONAL LOBE PROCESSOR, AND RELATED PROCESS FOR HOT MELT EXTRUSION STEERLIFE INDIA PRIVATE LTD (IN) 2021-10-27 EP disclosed