Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | TOP1 | P11387 | 3/20 | 0.37 |
| ▸ | KRAS | P01116 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21733840 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19CLK4USP2 | |
| SCHEMBL30834507 | 0.87 | KRAS (0.42) | CYP1A2CYP3A4CYP2C19CLK4USP2 | |
| SCHEMBL21733676 | 0.87 | KRAS (0.42) | CYP1A2CYP3A4CYP2C19CLK4USP2 | |
| SCHEMBL21722152 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19CLK4USP2 | |
| SCHEMBL30834556 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19CLK4USP2 | |
| SCHEMBL21722298 | 0.80 | TLR7 (0.41) | CYP1A2CYP3A4CYP2C19CLK4USP2 | |
| SCHEMBL21722193 | 0.76 | KRAS (0.54) | KRAS | |
| SCHEMBL29697525 | 0.76 | KRAS (0.53) | CYP1A2CYP3A4CYP2C19CLK4USP2 | |
| SCHEMBL21722230 | 0.75 | SRC (0.38) | ALDH1A1TP53 | |
| SCHEMBL30834559 | 0.75 | SRC (0.38) | ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112119075-B | Condensed ring compound | 豪夫迈·罗氏有限公司 | 2024-03-12 | — | — | CN | disclosed |