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 | 0.98 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.98 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.98 |
| ▸ | PGR | P06401 | 1/20 | 0.98 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.98 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.98 |
| ▸ | MAPT | P10636 | 1/20 | 0.98 |
| ▸ | CNR1 | P21554 | 1/20 | 0.98 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.98 |
| ▸ | HTR2A | P28223 | 1/20 | 0.98 |
| ▸ | HTR2C | P28335 | 1/20 | 0.98 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.98 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.98 |
| ▸ | CCKBR | P32239 | 1/20 | 0.98 |
| ▸ | PPARG | P37231 | 1/20 | 0.98 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.98 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.98 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.98 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.98 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.98 |
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 SCHEMBL3227745 | 0.99 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL37762 | 0.99 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL1560709 | 0.99 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL464769 | 0.99 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL13098636 | 0.99 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL28400913 | 0.98 | CYP46A1 (0.98) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL28777926 | 0.98 | CYP46A1 (0.98) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL28518509 | 0.98 | CYP46A1 (0.98) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL5028560 | 0.94 | CYP46A1 (0.90) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL28698666 | 0.91 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7271252-B2 | Reagents for detecting efavirenz | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2007-09-18 | — | — | US | disclosed |
| US-20060088933-A1 | Reagents for detecting efavirenz | SIGLER GERALD F | 2006-04-27 | — | — | US | disclosed |
| US-20040214251-A1 | Reagents for detecting efavirenz | ROCHE DIAGNOSTICS OPERATIONS, INC. | 2004-10-28 | — | — | US | disclosed |
| EP-1470825-A1 | Reagents for detecting efavirenz | Roche Diagnostics GmbH (DE) | 2004-10-27 | — | — | EP | disclosed |
| WO-1999064048-A9 | INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ADVANCED MEDICINE INC (US) | 2000-07-20 | — | — | WO | disclosed |
| EP-1003541-A1 | INHIBITORS OF HIV REVERSE TRANSCRIPTASE | Advanced Medicine, Inc. (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999064048-A1 | INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040214251-A1 | Reagents for detecting efavirenz | SAMHD1, CYP2F1, CD4 | CYP46A1 405/4885NR1I2 1753/4885NR3C1 3341/4885 |
“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.