Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9941742 | 0.92 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL29256112 | 0.88 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL2520510 | 0.82 | CDC7 (0.46) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL2526216 | 0.81 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL4494006 | 0.80 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL18183854 | 0.79 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL2521926 | 0.77 | SMN1; SMN2 (0.80) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL24687925 | 0.74 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL19902330 | 0.73 | CDC7 (0.44) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL9938533 | 0.73 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 |
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-118027039-A | Crystal of substituted piperazine derivative and preparation method thereof | 成都百裕制药股份有限公司 | 2024-05-14 | — | — | CN | disclosed |