Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ledipasvir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Ledipasvir SCHEMBL13071154 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL205601 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL19087952 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL2708471 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL18462701 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL18463016 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL19981367 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL18462752 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL15443804 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 | |
| Ledipasvir SCHEMBL14816971 | 1.00 | CYP2C9 (0.44) | CYP2C9CYP3A4NR1I2KCNH2ABCB11 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2855478-B1 | LEDIPASVIR D-TARTRATE | GILEAD PHARMASSET LLC (US) | 2018-08-08 | — | — | EP | disclosed |
| US-20180079744-A1 | METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR | SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) | 2018-03-22 | — | — | US | 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-20180079744-A1 | METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR | POLI, SAMHD1, TYMP | CYP2C9 93/4885CYP3A4 35/4885NR1I2 2366/4885 |
“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.