Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Etravirine. 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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 8/20 | 0.88 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.88 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.88 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.88 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.88 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.88 |
| ▸ | ESR1 | P03372 | 1/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.88 |
| ▸ | PGR | P06401 | 1/20 | 0.88 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.88 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.88 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.88 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.88 |
| ▸ | DRD1 | P21728 | 1/20 | 0.88 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.88 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.88 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.88 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.88 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.88 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.88 |
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 | |
|---|---|---|---|---|
| Etravirine SCHEMBL52691 | 0.94 | CYP2C9 (1.00) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| Etravirine SCHEMBL28640238 | 0.93 | CYP2C9 (0.98) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| Etravirine SCHEMBL3219153 | 0.93 | CYP2C9 (0.98) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| Etravirine SCHEMBL1085387 | 0.90 | CYP2C9 (0.85) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| Etravirine SCHEMBL1085485 | 0.89 | CYP2C9 (0.83) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL14439966 | 0.89 | CYP2C9 (0.89) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| Etravirine SCHEMBL1085575 | 0.86 | CYP2C9 (0.77) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1085572 | 0.85 | CYP2C9 (0.83) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1183658 | 0.84 | CYP2C9 (0.81) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL6031322 | 0.82 | CYP2C9 (0.75) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130035485-A1 | PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF | KRIZMANIC IRENA (HR) | 2013-02-07 | — | — | US | disclosed |
| US-8153790-B2 | Process for the preparation and purification of etravirine and intermediates thereof | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2012-04-10 | — | — | US | disclosed |
| US-20110275812-A1 | PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2011-11-10 | — | — | US | disclosed |
| WO-2011017079-A1 | PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2011-02-10 | — | — | WO | disclosed |
| WO-2010131118-A2 | POLYMORPHS OF ETRAVIRINE AND PROCESSES FOR PREPARATION THEREOF | PLIVA HRVATSKA D.O.O. (HR) | 2010-11-18 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110275812-A1 | PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF | ALKBH1, ALKBH5, ALKBH3 | CYP2C9 95/4885CYP2C19 169/4885KCNH2 3702/4885 |
| US-20130035485-A1 | PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF | ALKBH5, ALKBH1, ELOB | CYP2C9 173/4885CYP2C19 266/4885KCNH2 3208/4885 |
“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.