Atazanavir

Atazanavir

SCHEMBL20629937

COC(=O)NC(C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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The experimentally established mechanism targets of Atazanavir. 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
UGT1A1 P22309 3/20 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
ABCB1 P08183 1/20 1.00
CCKAR P32238 1/20 1.00
OPRK1 P41145 1/20 1.00
GHSR Q92847 1/20 1.00
SLCO1B3 Q9NPD5 1/20 1.00
ABCG2 Q9UNQ0 1/20 1.00
SLCO1B1 Q9Y6L6 1/20 1.00
KCNH2 Q12809 1/20 0.72
CTSD P07339 4/20 0.57
CYP3A4 P08684 3/20 0.57
CTSE P14091 1/20 0.41
PGC P20142 1/20 0.41
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 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.

Compoundsimilaritytop predictedshared targets
Atazanavir SCHEMBL41697 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL9975220 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL825777 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL7993264 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL1559640 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL1396072 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL20629941 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL21565117 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL22847477 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL41696 1.00 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11

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
US-20230172902-A1 METHODS FOR THE PROPHYLAXIS AND TREATMENT OF COVID AND COVID-19 TRAN LLOYD HUNG LOI (US) 2023-06-08 US disclosed
EP-2956439-B1 PROCESS FOR PREPARING ATAZANAVIR SULPHATE CIPLA LTD (IN) 2019-01-09 EP 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 (1 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-20230172902-A1 METHODS FOR THE PROPHYLAXIS AND TREATMENT OF COVID AND COVID-19 ACE, ACE2, LPO UGT1A1 2134/4885MLNR 3072/4885NR1I2 3803/4885

“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.