Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.75 |
| ▸ | CA2 | P00918 | 7/20 | 0.61 |
| ▸ | CA1 | P00915 | 5/20 | 0.61 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | CA7 | P43166 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP7 | P09237 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | MMP14 | P50281 | 1/20 | 0.52 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15167027 | 0.88 | ALDH1A1 (0.74) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL10037149 | 0.86 | CA2 (0.64) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL30887496 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL30887492 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL15167797 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL30887499 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL28625510 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL28620694 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL4512219 | 0.80 | ALDH1A1 (0.69) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL15166821 | 0.80 | ALDH1A1 (0.69) | ALDH1A1CA2CA1CA9CA7 |
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 |