Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.49 |
| ▸ | CA1 | P00915 | 14/20 | 0.49 |
| ▸ | CA12 | O43570 | 10/20 | 0.49 |
| ▸ | CA7 | P43166 | 7/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.49 |
| ▸ | CA9 | Q16790 | 11/20 | 0.44 |
| ▸ | PNMT | P11086 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 4/20 | 0.39 |
| ▸ | CA6 | P23280 | 4/20 | 0.39 |
| ▸ | CA5A | P35218 | 4/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30232448 | 0.98 | CA2 (0.50) | CA2CA1CA12CA7CA14 | |
| SCHEMBL4239331 | 0.98 | CA2 (0.50) | CA2CA1CA12CA7CA14 | |
| SCHEMBL7993133 | 0.84 | CA2 (0.50) | CA2CA1CA12CA7CA14 | |
| SCHEMBL8353563 | 0.81 | CA2 (0.51) | CA2CA1CA12CA7CA14 | |
| SCHEMBL27886889 | 0.80 | PNMT (0.44) | PNMTLMNA | |
| SCHEMBL996035 | 0.80 | ALDH1A1 (0.34) | CA2CA1CA12CA7CA14 | |
| SCHEMBL25511720 | 0.76 | ALDH1A1 (0.42) | CA2CA1CA12CA7CA14 | |
| Benzenesulfonamide SCHEMBL27317322 | 0.74 | CA2 (0.55) | CA2CA1CA12CA7CA14 | |
| SCHEMBL30232426 | 0.72 | CA1 (0.46) | CA2CA1CA12CA7CA14 | |
| SCHEMBL28145470 | 0.71 | MAPT (0.35) | CA2CA1CA12CA9LMNA |
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-86106428-A | Anti-tumor method and compound thereof | — | 1987-03-18 | — | — | CN | disclosed |