Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | PREP | P48147 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18212467 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2C9HRH2HRH1PREP | |
| SCHEMBL27470196 | 0.94 | CYP1A2 (0.44) | CYP1A2CYP2C9HRH2HRH1PREP | |
| Hydrochloric Acid SCHEMBL30966747 | 0.92 | HRH2 (0.39) | CYP1A2CYP2C9HRH2HRH1PREP | |
| SCHEMBL21981480 | 0.85 | CYP2C9 (0.40) | CYP1A2CYP2C9HRH2HRH1PREP | |
| SCHEMBL21981481 | 0.85 | CYP2C9 (0.40) | CYP1A2CYP2C9HRH2HRH1PREP | |
| SCHEMBL23845173 | 0.84 | CTSK (0.50) | HRH2HRH1PREPCTSLCTSK | |
| SCHEMBL5416784 | 0.84 | CTSK (0.50) | HRH2HRH1PREPCTSLCTSK | |
| SCHEMBL13287349 | 0.84 | CTSK (0.50) | HRH2HRH1PREPCTSLCTSK | |
| SCHEMBL18212464 | 0.83 | CYP2C9 (0.44) | CYP1A2CYP2C9HRH2HRH1PREP | |
| SCHEMBL27269476 | 0.83 | CTSK (0.46) | CYP1A2CYP2C9HRH2HRH1CTSL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024108147-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS | DENALI THERAPEUTICS INC. (US) | 2024-05-23 | — | — | WO | disclosed |