Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lopinavir. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 1/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 1/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 1/20 | 1.00 |
| ▸ | TBXA2R | P21731 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 1/20 | 1.00 |
| ▸ | HTR2B | P41595 | 1/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 1.00 |
| ▸ | SCN5A | Q14524 | 1/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 1.00 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Lopinavir SCHEMBL673770 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL28365789 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL13065521 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL21775 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL18898529 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL3042268 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL13370718 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL22241592 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL22382744 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL12270816 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021254919-A1 | SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2021-12-23 | — | — | WO | disclosed |
| EP-3925667-A1 | SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2021-12-22 | — | — | EP | disclosed |
| WO-2019014420-A1 | COMPOSITIONS AND METHODS OF DECREASING MEDICATION ERRORS | AZHC, LLC (US) | 2019-01-17 | — | — | WO | disclosed |
| WO-2012006353-A1 | DRUG-ELUTING CERVICAL CAP | CERMED CORPORATION (US) | 2012-01-12 | — | — | WO | disclosed |
| WO-2010029313-A1 | ANTIINFECTIVE COMPOUNDS | SUMMIT CORPORATION PLC. (GB) | 2010-03-18 | — | — | WO | disclosed |
| WO-2008112156-A1 | CHEMOKINE RECEPTOR MODULATORS | ALTIRIS THERAPEUTICS (US) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008109154-A1 | CHEMOKINE RECEPTOR MODULATORS | ALTIRIS THERAPEUTICS, INC. (US) | 2008-09-12 | — | — | WO | disclosed |
| WO-2007010266-A1 | PYRROLIDINE COMPOSITIONS | MNL PHARMA LIMITED (GB) | 2007-01-25 | — | — | WO | disclosed |
| WO-2006129134-A1 | SYNERGIC COMBINATIONS COMPRISING A STYRYLQUINOLINE COMPOUND AND OTHER HIV INFECTION THERAPEUTIC AGENTS | BIOALLIANCE PHARMA (FR) | 2006-12-07 | — | — | WO | disclosed |
| WO-2006077427-A2 | ANTIVIRAL DRUG COMBINATIONS | MNL PHARMA LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |