Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 9/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.42 |
| ▸ | F11 | P03951 | 1/20 | 0.42 |
| ▸ | CCKBR | P32239 | 4/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28677350 | 1.00 | LEF1 (0.49) | LEF1MMP13CA12CA1CA2 | |
| SCHEMBL28291191 | 0.93 | MMP13 (0.58) | LEF1MMP13CA12CA1CA2 | |
| SCHEMBL28291196 | 0.93 | MMP13 (0.58) | LEF1MMP13CA12CA1CA2 | |
| SCHEMBL23486835 | 0.92 | LEF1 (0.47) | LEF1MMP13CTNNB1HDAC4HDAC1 | |
| SCHEMBL28681215 | 0.87 | KLK7 (0.46) | LEF1MMP13CA12CA1CA2 | |
| SCHEMBL28681216 | 0.87 | KLK7 (0.46) | LEF1MMP13CA12CA1CA2 | |
| SCHEMBL28291195 | 0.86 | CA12 (0.45) | LEF1MMP13CA12CA1CA2 | |
| SCHEMBL23486833 | 0.86 | LEF1 (0.49) | LEF1MMP13CA12CA1CA2 | |
| SCHEMBL28692998 | 0.86 | LEF1 (0.44) | LEF1MMP13CA12CA1CA2 | |
| SCHEMBL28692999 | 0.86 | LEF1 (0.44) | LEF1MMP13CA12CA1CA2 |
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-113943259-A | Amino acid derivative, preparation method and application thereof | 西安禾渼生物医药有限公司 | 2022-01-18 | — | — | CN | disclosed |