Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13826055 | 0.81 | NPSR1 (0.49) | CA2CA9CA12NPSR1HTT | |
| SCHEMBL15460566 | 0.81 | NPSR1 (0.49) | CA2CA9CA12NPSR1HTT | |
| SCHEMBL15167026 | 0.81 | ALDH1A1 (0.56) | CA2CA9CA12NPSR1HTT | |
| SCHEMBL10037153 | 0.80 | ALDH1A1 (0.60) | CA2CA9CA12NPSR1HTT | |
| SCHEMBL2068561 | 0.80 | ALDH1A1 (0.59) | CA2CA9CA12NPSR1HTT | |
| SCHEMBL607797 | 0.80 | ALDH1A1 (0.59) | CA2CA9CA12NPSR1HTT | |
| SCHEMBL2067591 | 0.80 | ALDH1A1 (0.59) | CA2CA9CA12NPSR1HTT | |
| SCHEMBL2068549 | 0.80 | ALDH1A1 (0.59) | CA2CA9CA12NPSR1HTT | |
| SCHEMBL30887502 | 0.77 | CA2 (0.60) | CA2CA9CA12LMNAALDH1A1 | |
| SCHEMBL26307859 | 0.77 | ALDH1A1 (0.57) | CA2CA9CA12NPSR1HTT |
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 |