Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19861703 | 0.86 | TRPV1 (0.35) | TRPV1 | |
| SCHEMBL19861666 | 0.79 | CYP2D6 (0.37) | CYP2D6CYP2C19TRPV1 | |
| SCHEMBL2736129 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL2736126 | 0.74 | ALDH1A1 (0.33) | TRPV1 | |
| SCHEMBL18531986 | 0.72 | — | — | |
| SCHEMBL18531984 | 0.72 | ALDH1A1 (0.31) | TRPV1 | |
| SCHEMBL17743402 | 0.66 | PIK3CD (0.36) | CYP2D6CYP2C19 | |
| SCHEMBL2760183 | 0.66 | — | — | |
| SCHEMBL4670473 | 0.65 | PIK3CD (0.48) | CYP2D6CYP2C19 | |
| SCHEMBL9766473 | 0.65 | KDM4E (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9891239-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2018-02-13 | — | — | US | disclosed |