Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | CA2 | P00918 | 5/20 | 0.64 |
| ▸ | CA1 | P00915 | 3/20 | 0.64 |
| ▸ | CA7 | P43166 | 3/20 | 0.64 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | CA4 | P22748 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | HPN | P05981 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28615849 | 0.81 | ALDH1A1 (0.75) | ALDH1A1CA2CA1CA7CA9 | |
| SCHEMBL10779597 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CA2CA1CA7CA9 | |
| SCHEMBL30887492 | 0.79 | ALDH1A1 (0.71) | ALDH1A1CA2CA1CA7CA9 | |
| SCHEMBL28620694 | 0.78 | ALDH1A1 (0.71) | ALDH1A1CA2CA1CA7CA9 | |
| SCHEMBL15167027 | 0.78 | ALDH1A1 (0.74) | ALDH1A1CA2CA1CA7CA9 | |
| SCHEMBL4512219 | 0.77 | ALDH1A1 (0.69) | ALDH1A1CA2CA1CA7CA9 | |
| SCHEMBL15166821 | 0.77 | ALDH1A1 (0.69) | ALDH1A1CA2CA1CA7CA9 | |
| SCHEMBL30887496 | 0.77 | ALDH1A1 (0.68) | ALDH1A1CA2CA1CA7CA9 | |
| SCHEMBL14519844 | 0.77 | ALDH1A1 (0.68) | ALDH1A1CA2CA7CYP1A2CYP2C9 | |
| SCHEMBL15167336 | 0.77 | CA2 (0.57) | ALDH1A1CA2CA1CA7CA9 |
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-113105374-B | Method for synthesizing alkylamine derivative | 西湖大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-113105374-A | Method for synthesizing alkylamine derivative | 西湖大学 | 2021-07-13 | — | — | CN | disclosed |