Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.71 |
| ▸ | CA7 | P43166 | 4/20 | 0.71 |
| ▸ | CA9 | Q16790 | 4/20 | 0.71 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.71 |
| ▸ | CA4 | P22748 | 3/20 | 0.71 |
| ▸ | CA6 | P23280 | 3/20 | 0.71 |
| ▸ | CA5A | P35218 | 3/20 | 0.71 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.71 |
| ▸ | MAOB | P27338 | 1/20 | 0.67 |
| ▸ | TTR | P02766 | 4/20 | 0.64 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.64 |
| ▸ | DPP4 | P27487 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | TOP2A | P11388 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL27814594 | 1.00 | CA12 (0.71) | CA12CA7CA9CA14CA4 | |
| SCHEMBL5688120 | 0.90 | KDM4E (0.76) | CA12CA7CA9CA14CA4 | |
| SCHEMBL5688117 | 0.90 | KDM4E (0.76) | CA12CA7CA9CA14CA4 | |
| SCHEMBL16319133 | 0.89 | LMNA (0.63) | CA12CA7CA9CA14CA4 | |
| SCHEMBL16319134 | 0.89 | LMNA (0.63) | CA12CA7CA9CA14CA4 | |
| SCHEMBL5687918 | 0.88 | LMNA (0.80) | CA12CA7CA9CA14CA4 | |
| SCHEMBL5687914 | 0.88 | LMNA (0.80) | CA12CA7CA9CA14CA4 | |
| SCHEMBL5685197 | 0.87 | KDM4E (0.67) | CA12CA7CA9CA14CA4 | |
| SCHEMBL12257934 | 0.87 | LMNA (0.61) | CA12CA7CA9CA14CA4 | |
| SCHEMBL5685437 | 0.87 | FDPS (0.74) | CA12CA7CA9CA14CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020035058-A1 | PHARMACEUTICAL COMPOUNDS FOR TREATING LIVER DISEASES AND APPLICATION THEREOF | 江苏新元素医药科技有限公司 | 2020-02-20 | — | — | WO | disclosed |
| CN-101829098-B | Application of substituted isosilybin in preparing medicament for treating virus hepatitis B | UNIV DALI | 2012-10-17 | — | — | CN | disclosed |
| CN-101829098-A | Application of substituted isosilybin in preparing medicament for treating virus hepatitis B | UNIV DALI | 2010-09-15 | — | — | CN | disclosed |