Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28949721 | 0.85 | PTGER4 (0.53) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL22891351 | 0.83 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL11354413 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL12505440 | 0.80 | CTNNB1 (0.65) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL28949682 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL9948495 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL3790316 | 0.77 | CYP1A2 (0.69) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL9289453 | 0.77 | CTNNB1 (0.60) | NPSR1MAPTSMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL10940178 | 0.77 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL10373454 | 0.77 | LMNA (0.53) | MAPTLMNAALDH1A1L3MBTL1MEN1 |
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 |