Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27323072 | 0.77 | CYP1A2 (0.43) | CYP2C9CYP2C19 | |
| Ethoxycarbonyl Group SCHEMBL27297885 | 0.77 | CHRNB2 (0.38) | HCAR2CYP2C9CYP2C19 | |
| SCHEMBL28206091 | 0.74 | HCAR2 (0.48) | HCAR2 | |
| Pyrazine SCHEMBL27608305 | 0.72 | KMT2A (0.31) | — | |
| Formic Acid SCHEMBL27858692 | 0.72 | HCAR2 (0.52) | HCAR2CYP2C9 | |
| Ethoxycarbonyl Group SCHEMBL5306888 | 0.71 | ALDH1A1 (0.38) | — | |
| Ethoxycarbonyl Group SCHEMBL453 | 0.71 | — | — | |
| Ethoxycarbonyl Group SCHEMBL1332384 | 0.71 | — | — | |
| SCHEMBL56635 | 0.71 | — | — | |
| Formic Acid Methyl Ester SCHEMBL28331389 | 0.69 | ATM (0.42) | HCAR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108200760-A | BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS | 英安塔制药有限公司 | 2018-06-22 | — | — | CN | disclosed |
| CN-105324385-A | Bace inhibitors | LILLY CO ELI | 2016-02-10 | — | — | CN | disclosed |