Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Remdesivir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | KRAS | P01116 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
| ▸ | BTN3A1 | O00481 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Remdesivir SCHEMBL17712238 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL17712227 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL22143154 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL23685886 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL17712269 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL24494884 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL24494885 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL24611640 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL20500116 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 | |
| Remdesivir SCHEMBL30001735 | 1.00 | TMPRSS2 (0.40) | TMPRSS2CYP3A4CYP2C9KRASRIPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3651734-B1 | COMPOSITIONS COMPRISING AN RNA POLYMERASE INHIBITOR AND CYCLODEXTRIN FOR TREATING VIRAL INFECTIONS | GILEAD SCIENCES INC (US) | 2024-11-13 | — | — | EP | disclosed |