Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26275286 | 0.76 | KDM4E (0.50) | KDM4EALDH1A1GAAHPGDALOX12 | |
| SCHEMBL2578936 | 0.70 | ALDH1A1 (0.48) | KDM4EALDH1A1GAAHPGDCYP2A6 | |
| SCHEMBL5366743 | 0.67 | KDM4E (0.42) | KDM4EALDH1A1GAAHPGDALOX12 | |
| SCHEMBL3138227 | 0.66 | GPR3 (0.48) | KDM4EALDH1A1GAAHPGDALOX12 | |
| SCHEMBL19678237 | 0.66 | GPR3 (0.48) | KDM4EALDH1A1GAAHPGDALOX12 | |
| SCHEMBL20791949 | 0.66 | GPR3 (0.48) | KDM4EALDH1A1GAAHPGDALOX12 | |
| Phenanthrene SCHEMBL9994190 | 0.64 | CYP2A6 (0.92) | ALDH1A1HPGDALOX12CYP2A6TSHR | |
| SCHEMBL26275300 | 0.63 | KDM4E (0.59) | KDM4EALDH1A1GAAHPGDALOX12 | |
| SCHEMBL12776605 | 0.63 | P2RX4 (0.49) | KDM4EALDH1A1GAAHPGDCYP2A6 | |
| SCHEMBL416287 | 0.62 | CYP1A2 (0.62) | KDM4EALDH1A1GAAHPGDCYP2A6 |
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-116217576-B | Near infrared emission fluorescent molecule based on purine skeleton, and preparation method and application thereof | 四川大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-116217576-A | Near infrared emission fluorescent molecule based on purine skeleton, and preparation method and application thereof | 四川大学 | 2023-06-06 | — | — | CN | disclosed |