Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20776380 | 1.00 | PDK1 (0.34) | PDK1CYP3A4CYP2D6THRBCYP2C9 | |
| SCHEMBL27413998 | 0.82 | TSHR (0.40) | PDK1CYP3A4CYP2D6THRBCYP2C9 | |
| SCHEMBL19060085 | 0.82 | TSHR (0.40) | PDK1CYP3A4CYP2D6THRBCYP2C9 | |
| SCHEMBL9911316 | 0.82 | TSHR (0.40) | PDK1CYP3A4CYP2D6THRBCYP2C9 | |
| SCHEMBL6981519 | 0.82 | TSHR (0.40) | PDK1CYP3A4CYP2D6THRBCYP2C9 | |
| SCHEMBL24632392 | 0.82 | TSHR (0.40) | PDK1CYP3A4CYP2D6THRBCYP2C9 | |
| SCHEMBL22697614 | 0.82 | TSHR (0.33) | PDK1 | |
| SCHEMBL6935885 | 0.76 | PDK1 (0.37) | PDK1CYP3A4CYP2D6THRBCYP2C9 | |
| SCHEMBL22513673 | 0.75 | TSHR (0.37) | CYP2D6 | |
| SCHEMBL18666899 | 0.74 | PDK1 (0.37) | PDK1CYP3A4CYP2D6THRBCYP2C9 |
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-1807440-B1 | NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS | UNIV KANSAS (US) | 2020-02-19 | — | — | EP | disclosed |