Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL6547394 | 0.94 | CYP1A2 (0.46) | ACHEBCHECYP1A2CYP2A6TAAR1 | |
| SCHEMBL24106999 | 0.90 | BCHE (0.39) | ACHEBCHECYP1A2CYP2A6TAAR1 | |
| SCHEMBL6546243 | 0.86 | BCHE (0.51) | ACHEBCHECYP1A2CYP2A6TAAR1 | |
| SCHEMBL6546964 | 0.85 | ALDH1A1 (0.54) | CYP1A2CNR2ALDH1A1CNR1LMNA | |
| SCHEMBL24067355 | 0.85 | MEN1 (0.46) | TAAR1IDO1GAAESR1ESR2 | |
| SCHEMBL6546640 | 0.85 | ALDH1A1 (0.50) | CYP1A2CYP2A6TAAR1ALDH1A1MEN1 | |
| SCHEMBL24997152 | 0.83 | RAB9A (0.45) | TAAR1IDO1ALDH1A1ESR1ESR2 | |
| SCHEMBL9587937 | 0.81 | ALDH1A1 (0.43) | ACHECYP1A2CYP2A6TAAR1ALDH1A1 | |
| SCHEMBL6546912 | 0.77 | BCHE (0.51) | ACHEBCHECYP1A2CYP2A6TAAR1 | |
| SCHEMBL4952650 | 0.77 | TAAR1 (0.50) | ACHETAAR1IDO1ALDH1A1GAA |
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-109852443-A | A kind of Gasoline octane number enhancer and preparation method thereof | 山东聚兴新材料科技有限公司 | 2019-06-07 | — | — | CN | disclosed |