Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29009330 | 0.92 | ALDH1A1 (0.57) | NOS2ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL267307 | 0.89 | KDM4E (0.62) | NOS2ALDH1A1KDM4EMAPTGAA | |
| Hydrochloric Acid SCHEMBL5100210 | 0.87 | ALDH1A1 (0.60) | NOS2ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL29380973 | 0.83 | SMN1; SMN2 (0.59) | NOS2ALDH1A1KDM4EMAPTCYP3A4 | |
| SCHEMBL27720018 | 0.83 | SMN1; SMN2 (0.59) | NOS2ALDH1A1KDM4EMAPTCYP3A4 | |
| SCHEMBL632502 | 0.83 | ALDH1A1 (0.59) | NOS2ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL29923727 | 0.83 | ALDH1A1 (0.59) | NOS2ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL258365 | 0.83 | NOS2 (0.57) | NOS2ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL30821626 | 0.83 | NOS2 (0.57) | NOS2ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL221141 | 0.83 | SMN1; SMN2 (0.59) | NOS2ALDH1A1KDM4EMAPTCYP3A4 |
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-116751160-A | Preparation method of delta-aryl-gamma-amino acid derivative | 广东工业大学 | 2023-09-15 | — | — | CN | disclosed |
| CN-116178257-A | Preparation method of delta-aryl-gamma-amino acid derivative | 广东工业大学 | 2023-05-30 | — | — | CN | disclosed |