Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28457180 | 0.73 | CA1 (0.33) | CA1CA2CA9CA7TSHR | |
| SCHEMBL28801981 | 0.71 | CA1 (0.32) | CA1CA2CA9CA7TSHR | |
| SCHEMBL29603096 | 0.71 | CA1 (0.32) | CA1CA2CA9CA7TSHR | |
| SCHEMBL718983 | 0.69 | TSHR (0.35) | CA1CA2CA9CA7CA13 | |
| SCHEMBL26112006 | 0.69 | ALDH1A1 (0.31) | ALDH1A1L3MBTL1TSHRTDP1 | |
| SCHEMBL31070433 | 0.67 | DPP4 (0.31) | — | |
| SCHEMBL321210 | 0.67 | ALDH1A1 (0.33) | CA1CA2CA9ALDH1A1L3MBTL1 | |
| SCHEMBL11842579 | 0.67 | ALDH1A1 (0.33) | CA1CA2CA9ALDH1A1L3MBTL1 | |
| SCHEMBL13241631 | 0.67 | ALDH1A1 (0.33) | CA1CA2CA9ALDH1A1L3MBTL1 | |
| SCHEMBL757434 | 0.66 | — | — |
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-114853797-A | Preparation method of alpha-amino boron cyclic compound | 中山大学 | 2022-08-05 | — | — | CN | disclosed |