Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Efavirenz. 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 | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 10/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | NR3C1 | P04150 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 1/20 | 1.00 |
| ▸ | ADRB1 | P08588 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | CNR1 | P21554 | 1/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 1/20 | 1.00 |
| ▸ | HTR2A | P28223 | 1/20 | 1.00 |
| ▸ | HTR2C | P28335 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | AGTR1 | P30556 | 1/20 | 1.00 |
| ▸ | CCKBR | P32239 | 1/20 | 1.00 |
| ▸ | PPARG | P37231 | 1/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 1/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 1.00 |
| ▸ | PDE4D | Q08499 | 1/20 | 1.00 |
| ▸ | PDE3A | Q14432 | 1/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Efavirenz SCHEMBL1560709 | 1.00 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL37762 | 1.00 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL3227745 | 1.00 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL13098636 | 1.00 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL28518509 | 0.99 | CYP46A1 (0.98) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL28400913 | 0.99 | CYP46A1 (0.98) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL5576237 | 0.99 | CYP46A1 (0.98) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL28777926 | 0.99 | CYP46A1 (0.98) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL5028560 | 0.95 | CYP46A1 (0.90) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL28698666 | 0.92 | CYP46A1 (0.84) | CYP46A1NR1I2NR3C1PGRADRB1 |
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 557 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9676735-B2 | Process for the preparation of efavirenz and devices suitable therefore | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2017-06-13 | — | — | US | claimed |
| US-20170057937-A1 | Process for the preparation of Efavirenz and devices suitable therefore | MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2017-03-02 | — | — | US | claimed |
| US-8710218-B2 | Process for preparation of Efavirenz | LUPIN LIMITED (IN) | 2014-04-29 | — | — | US | claimed |
| EP-2454244-B1 | AN IMPROVED PROCESS FOR PREPARATION OF EFAVIRENZ | LUPIN LTD (IN) | 2013-06-26 | — | — | EP | claimed |
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | claimed |
| US-20120108809-A1 | PROCESS FOR PREPARATION OF EFAVIRENZ | LUPIN LIMITED (IN) | 2012-05-03 | — | — | US | claimed |
| EP-1686113-B1 | Inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2011-11-23 | — | — | EP | claimed |
| EP-0975609-B1 | PROCESS FOR THE CRYSTALLIZATION OF A REVERSE TRANSCRIPTASE INHIBITOR USING AN ANTI-SOLVENT | MERCK SHARP & DOHME (US) | 2010-10-27 | — | — | EP | claimed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | US | claimed |
| US-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | AQUINO CHRISTOPHER JOSEPH | 2009-02-26 | — | — | US | claimed |
| US-6235733-B1 | AIDS THERAPY | DUPONT PHARMACEUTICALS COMPANY | 2001-05-22 | — | — | US | claimed |
| EP-0975609-A4 | PROCESS FOR THE CRYSTALLIZATION OF A REVERSE TRANSCRIPTASE INHIBITOR USING AN ANTI-SOLVENT | MERCK & CO INC (US) | 2001-02-21 | — | — | EP | claimed |
| EP-0582455-B1 | Benzoxazinones as inhibitors of HIV reverse transcriptase | MERCK & CO INC (US) | 2000-11-02 | — | — | EP | claimed |
| EP-0975609-A1 | PROCESS FOR THE CRYSTALLIZATION OF A REVERSE TRANSCRIPTASE INHIBITOR USING AN ANTI-SOLVENT | Merck & Co., Inc. (US) | 2000-02-02 | — | — | EP | claimed |
| US-5965729-A | CRYSTALLIZING 6-CHLORO-4-CYCLOPRPOYLETHYNYL-4-TRIFLUOROMETHYL-1, 4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE FROM A SOLVENT AND ANTISOLVENT SYSTEM TO PRODUCE CRYSTALLINE PRODUCT | MERCK & CO., INC. (US) | 1999-10-12 | — | — | US | claimed |
| WO-1998033782-A1 | PROCESS FOR THE CRYSTALLIZATION OF A REVERSE TRANSCRIPTASE INHIBITOR USING AN ANTI-SOLVENT | MERCK & CO., INC. (US) | 1998-08-06 | — | — | WO | claimed |
| US-5663169-A | Benzoxazinones as inhibitors of HIV reverse transcriptase | MERCK & CO., INC. (US) | 1997-09-02 | — | — | US | claimed |
| WO-1995020389-A1 | BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1995-08-03 | — | — | WO | claimed |
| WO-1994003440-A1 | BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1994-02-17 | — | — | WO | claimed |
| EP-0582455-A1 | Benzoxazinones as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1994-02-09 | — | — | EP | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | CCR5, CXCR3, CCR1 | CYP46A1 1264/4885NR1I2 233/4885NR3C1 278/4885 |
| US-20120108809-A1 | PROCESS FOR PREPARATION OF EFAVIRENZ | CYP3A4, CYP3A43, CYP51A1 | CYP46A1 55/4885NR1I2 3324/4885NR3C1 3531/4885 |
| US-20170057937-A1 | Process for the preparation of Efavirenz and devices suitable therefore | CYP3A4, CYP2C19, CYP3A43 | CYP46A1 120/4885NR1I2 3552/4885NR3C1 2795/4885 |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | SPINT2, DNPEP, PRSS1 | CYP46A1 3677/4885NR1I2 3877/4885NR3C1 4771/4885 |
“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.