Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 4/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.35 |
| ▸ | AKT1 | P31749 | 3/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL24855323 | 0.84 | EPHX2 (0.34) | HRH4EPHX2CYP1A2KDM4EALDH1A1 | |
| SCHEMBL29191281 | 0.83 | KRAS (0.45) | HRH4CYP1A2ALDH1A1KRASCYP2C19 | |
| SCHEMBL21733596 | 0.83 | KRAS (0.53) | KRAS | |
| SCHEMBL21734100 | 0.83 | KRAS (0.53) | KRAS | |
| SCHEMBL21733900 | 0.83 | KRAS (0.53) | KRAS | |
| SCHEMBL30178116 | 0.83 | KRAS (0.53) | KRAS | |
| SCHEMBL21722245 | 0.83 | KRAS (0.53) | KRAS | |
| SCHEMBL21722148 | 0.83 | KRAS (0.53) | KRAS | |
| SCHEMBL29191268 | 0.82 | EPHX2 (0.38) | HRH4EPHX2CYP1A2KRASCYP2C19 | |
| SCHEMBL30834529 | 0.82 | EPHX2 (0.38) | HRH4EPHX2CYP1A2KRASCYP2C19 |
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 |