Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL24465695 | 0.88 | CYP2C9 (0.42) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL19286752 | 0.83 | CYP2C9 (0.37) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL18474243 | 0.83 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL18473627 | 0.82 | CYP2C9 (0.35) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL18474248 | 0.80 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL22193149 | 0.80 | CYP2C9 (0.33) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL16590568 | 0.77 | CYP2C9 (0.41) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL15127084 | 0.77 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL29795067 | 0.76 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL23200438 | 0.75 | CYP2C9 (0.55) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 |
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-4005600-A1 | CYTOTOXIC-DRUG DELIVERING MOLECULES TARGETING HIV (CDM-HS), CYTOTOXIC ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS AND METHODS OF USE | Yale University (US) | 2022-06-01 | — | — | EP | disclosed |