Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.57 |
| ▸ | CA12 | O43570 | 6/20 | 0.57 |
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | CA9 | Q16790 | 5/20 | 0.57 |
| ▸ | CA5A | P35218 | 4/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.57 |
| ▸ | CA3 | P07451 | 1/20 | 0.57 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL392987 | 1.00 | CA2 (0.57) | CA2CA12CA1CA9CA5A | |
| SCHEMBL11505093 | 0.87 | CA2 (0.53) | CA2CA12CA1CA9CA5A | |
| SCHEMBL18301990 | 0.83 | GAA (0.59) | CA2CA12CA1CA9CA5A | |
| SCHEMBL11674536 | 0.83 | TDP1 (0.53) | CA2CA12CA1CA9CA5A | |
| SCHEMBL15976059 | 0.83 | TDP1 (0.53) | CA2CA12CA1CA9CA5A | |
| SCHEMBL715239 | 0.83 | TDP1 (0.53) | CA2CA12CA1CA9CA5A | |
| SCHEMBL67062 | 0.83 | NT5E (0.59) | CA2CA12CA1CA9CA5A | |
| SCHEMBL315765 | 0.83 | NT5E (0.59) | CA2CA12CA1CA9CA5A | |
| SCHEMBL29696954 | 0.83 | TDP1 (0.53) | CA2CA12CA1CA9CA5A | |
| SCHEMBL9440569 | 0.83 | GPR35 (0.56) | CA2CA12CA1CA9CA5A |
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-116270660-A | Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof | 广州麓鹏制药有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116236583-A | Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof | 广州麓鹏制药有限公司 | 2023-06-09 | — | — | CN | disclosed |