Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PARG | Q86W56 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22891351 | 0.87 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL11354413 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL28949720 | 0.84 | PTGER4 (0.55) | L3MBTL1LMNANPSR1SMN1; SMN2MAPT | |
| SCHEMBL12505440 | 0.84 | CTNNB1 (0.65) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL9948495 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL28949684 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL28949680 | 0.79 | CTNNB1 (0.67) | L3MBTL1LMNANPSR1SMN1; SMN2HTT | |
| SCHEMBL11577659 | 0.78 | GAA (0.54) | CYP1A2CYP2C9CYP2C19L3MBTL1MRGPRX4 | |
| SCHEMBL4445314 | 0.77 | MRGPRX4 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL22868028 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 |
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-115698292-A | Aptamers binding to thiamine analogs and derivatives | 梅里特斯英国第二有限公司 | 2023-02-03 | — | — | CN | disclosed |