Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 17/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7899481 | 0.80 | PIK3CA (0.45) | CA1CA2CA9 | |
| SCHEMBL13370383 | 0.78 | POLB (0.35) | CA1CA2CA9CA12CA3 | |
| SCHEMBL3478062 | 0.78 | NPC1 (0.54) | — | |
| SCHEMBL18613753 | 0.77 | HDAC6 (0.38) | — | |
| SCHEMBL3534341 | 0.76 | L3MBTL1 (0.46) | — | |
| SCHEMBL3478060 | 0.75 | HDAC6 (0.53) | — | |
| SCHEMBL2724794 | 0.74 | LMNA (0.49) | CA1CA2CA9CA12CA3 | |
| SCHEMBL29867543 | 0.74 | LMNA (0.49) | CA1CA2CA9CA12CA3 | |
| SCHEMBL17378988 | 0.73 | CA1 (0.47) | CA1CA2CA9CA12CA3 | |
| SCHEMBL22160380 | 0.72 | LPL (0.41) | — |
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-111848629-B | mTOR/HDAC dual inhibitor and application thereof | 安徽中医药大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-111848629-A | mTOR/HDAC dual inhibitor and application thereof | 安徽中医药大学 | 2020-10-30 | — | — | CN | disclosed |