Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6136859 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL6766311 | 0.75 | TRIM24 (0.51) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL11577650 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL8125018 | 0.71 | ALDH1A1 (0.65) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL11577647 | 0.70 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL9475092 | 0.69 | SMN1; SMN2 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6964911 | 0.69 | — | — | |
| SCHEMBL31439208 | 0.69 | — | — | |
| SCHEMBL3168798 | 0.69 | — | — | |
| SCHEMBL15924869 | 0.68 | SMN1; SMN2 (0.45) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 |
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-105085482-B | Substituted diethylenediamine compound and its application method and purposes | 广东东阳光药业有限公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-105085482-A | Substituted piperazine compound, and usage method and application thereof | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |