Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7801589 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2790210 | 0.76 | NR2E1 (0.61) | NR2E1 | |
| SCHEMBL10654142 | 0.71 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAACYP1A2CYP2C9 | |
| SCHEMBL16335028 | 0.71 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAACYP1A2CYP2C9 | |
| SCHEMBL8193680 | 0.68 | CYP1A2 (0.54) | ALDH1A1KDM4EGAACYP1A2CYP2C9 | |
| SCHEMBL28953102 | 0.68 | ALDH1A1 (0.35) | ALDH1A1KDM4EGAACYP1A2CYP2C9 | |
| SCHEMBL29316732 | 0.67 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAACYP1A2CYP2C9 | |
| SCHEMBL8183530 | 0.67 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAACYP1A2CYP2C9 | |
| SCHEMBL16150200 | 0.66 | ALDH1A1 (0.41) | ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL10625849 | 0.66 | BACE1 (0.42) | ALDH1A1KDM4ESMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103896865-B | 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof | 兴义民族师范学院 | 2017-03-22 | — | — | CN | claimed |
| CN-103896865-A | 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof | XINGYI NORMAL UNIVERSITY FOR NATIONALITIES | 2014-07-02 | — | — | CN | claimed |
| CN-103896865-B | 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof | 兴义民族师范学院 | 2017-03-22 | — | — | CN | disclosed |
| CN-103896865-A | 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof | XINGYI NORMAL UNIVERSITY FOR NATIONALITIES | 2014-07-02 | — | — | CN | disclosed |