Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 8/20 | 0.59 |
| ▸ | CA9 | Q16790 | 5/20 | 0.59 |
| ▸ | CA12 | O43570 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | MMP2 | P08253 | 3/20 | 0.57 |
| ▸ | MMP9 | P14780 | 3/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | MMP1 | P03956 | 2/20 | 0.57 |
| ▸ | MMP13 | P45452 | 2/20 | 0.57 |
| ▸ | MMP3 | P08254 | 1/20 | 0.57 |
| ▸ | MMP7 | P09237 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.54 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.54 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6500063 | 0.96 | CA2 (0.62) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL945862 | 0.85 | SMN1; SMN2 (0.61) | ALDH1A1CA2CA9CA12CA1 | |
| SCHEMBL11512348 | 0.83 | SMN1; SMN2 (0.59) | ALDH1A1CA2CA9CA12CA1 | |
| SCHEMBL25650178 | 0.83 | GAA (0.65) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL6613031 | 0.82 | ADAMTS4 (0.70) | ALDH1A1CA2CA9CA12CA1 | |
| SCHEMBL28423968 | 0.82 | ALDH1A1 (0.69) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL14619788 | 0.82 | ALDH1A1 (0.69) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL10037153 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL3415855 | 0.80 | GBA1 (0.61) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL6130629 | 0.80 | MMP2 (0.61) | ALDH1A1CA2CA9CA12TSHR |
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-116063209-B | Method for preparing benzylamine derivative by catalyzing amination of benzyl C-H bond through nickel under promotion of visible light | 上海沃凯生物技术有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-116063209-A | Method for preparing benzylamine derivative by catalyzing amination of benzyl C-H bond through nickel under promotion of visible light | 上海沃凯生物技术有限公司 | 2023-05-05 | — | — | CN | disclosed |