Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.53 |
| ▸ | CA1 | P00915 | 14/20 | 0.53 |
| ▸ | CA9 | Q16790 | 12/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | CA7 | P43166 | 4/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.53 |
| ▸ | CA3 | P07451 | 3/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.53 |
| ▸ | CA6 | P23280 | 3/20 | 0.53 |
| ▸ | CA5A | P35218 | 3/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5136284 | 0.92 | CA2 (0.53) | CA2CA1CA9CA12CA7 | |
| SCHEMBL10478721 | 0.92 | CA2 (0.53) | CA2CA1CA9CA12CA7 | |
| SCHEMBL5856214 | 0.90 | CA2 (0.52) | CA2CA1CA9CA12CA7 | |
| SCHEMBL10425428 | 0.83 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL3208940 | 0.83 | CA1 (0.46) | CA2CA1CA9CA12CA7 | |
| SCHEMBL474049 | 0.73 | CA1 (0.67) | CA2CA1CA9CA12CA7 | |
| SCHEMBL143596 | 0.73 | CA1 (0.67) | CA2CA1CA9CA12CA7 | |
| SCHEMBL771183 | 0.73 | CA1 (0.67) | CA2CA1CA9CA12CA7 | |
| SCHEMBL3354 | 0.73 | CA1 (0.67) | CA2CA1CA9CA12CA7 | |
| SCHEMBL41458 | 0.73 | CA1 (0.67) | CA2CA1CA9CA12CA7 |
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-105176685-A | Method for preparing natural aroma-enhanced orange essential oil with enzymatic method | UNIV SOUTH CHINA TECH | 2015-12-23 | — | — | CN | disclosed |