Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.55 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | PLAU | P00749 | 3/20 | 0.46 |
| ▸ | HPN | P05981 | 3/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18986715 | 0.81 | CA2 (0.62) | CA2CA9CA12CA1CA7 | |
| SCHEMBL30887502 | 0.80 | CA2 (0.60) | CA2CA9CA12CA1CA7 | |
| SCHEMBL30887480 | 0.77 | CA2 (0.51) | CA2CA9CA12CA1CA7 | |
| SCHEMBL30887499 | 0.76 | ALDH1A1 (0.64) | CA2CA9CA12CA1CA7 | |
| SCHEMBL2896564 | 0.76 | CA2 (0.69) | CA2CA9CA12CA1CA7 | |
| SCHEMBL14539177 | 0.74 | CA2 (0.60) | CA2CA9CA12CA1CA7 | |
| SCHEMBL9938681 | 0.73 | MCHR1 (0.45) | CA2CA9CA12CA1CA7 | |
| SCHEMBL11488152 | 0.72 | CA2 (0.58) | CA2CA9CA12CA1CA7 | |
| SCHEMBL13941902 | 0.72 | CA2 (0.51) | CA2CA9CA12CA1CA7 | |
| SCHEMBL13941904 | 0.72 | CA2 (0.51) | CA2CA9CA12CA1CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113683556-A | Chiral aryl N-heteroaryl methylamine and preparation method thereof | 湖北滋兰生物医药科技有限公司 | 2021-11-23 | — | — | CN | disclosed |