Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.30 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21241548 | 0.82 | CA2 (0.45) | SMN1; SMN2ALDH1A1POLBCA2TYR | |
| SCHEMBL28488742 | 0.79 | CYP1A2 (0.34) | CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL12680655 | 0.67 | ALDH1A1 (0.46) | ALDH1A1POLBCA2GAATHRB | |
| SCHEMBL224048 | 0.65 | CA2 (0.64) | SMN1; SMN2ALDH1A1POLBCA2TYR | |
| SCHEMBL21241385 | 0.65 | MAPT (0.49) | SMN1; SMN2ALDH1A1POLBCA2TYR | |
| SCHEMBL10846510 | 0.65 | CA2 (0.41) | SMN1; SMN2ALDH1A1POLBCA2TYR | |
| SCHEMBL21241539 | 0.64 | ALOX15 (0.56) | SMN1; SMN2ALDH1A1POLBCA2TYR | |
| SCHEMBL21241641 | 0.63 | MAPT (0.52) | SMN1; SMN2ALDH1A1POLBCA2TYR | |
| SCHEMBL891539 | 0.63 | CYP2C9 (0.63) | SMN1; SMN2ALDH1A1POLBCA2TYR | |
| SCHEMBL31196962 | 0.63 | CYP2C9 (0.63) | SMN1; SMN2ALDH1A1POLBCA2TYR |
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-108299263-B | Probucol derivative and preparation method and application thereof | 北京德默高科医药技术有限公司 | 2020-12-01 | — | — | CN | disclosed |