Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL6668489 | 0.92 | CA2 (0.39) | CES1CA2CES2ALDH1A1L3MBTL1 | |
| Hydrogen Peroxide SCHEMBL6668485 | 0.92 | CA2 (0.39) | CES1CA2CES2ALDH1A1L3MBTL1 | |
| SCHEMBL27892503 | 0.88 | CA2 (0.41) | CES1CA2CES2FAAHALDH1A1 | |
| SCHEMBL344 | 0.88 | CA2 (0.41) | CES1CA2CES2FAAHALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL9724655 | 0.85 | ALDH1A1 (0.38) | CES1CA2CES2ALDH1A1L3MBTL1 | |
| Fluoride SCHEMBL1594462 | 0.84 | CA2 (0.39) | CES1CA2CES2ALDH1A1 | |
| SCHEMBL11799381 | 0.84 | CA2 (0.39) | CES1CA2CES2ALDH1A1 | |
| SCHEMBL11800353 | 0.84 | CA2 (0.39) | CES1CA2CES2ALDH1A1 | |
| SCHEMBL7149277 | 0.84 | CA2 (0.39) | CES1CA2CES2ALDH1A1 | |
| SCHEMBL9473581 | 0.84 | CA2 (0.39) | CES1CA2CES2ALDH1A1 |
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-104548146-B | Magnetic resonance developer of a kind of dendritic macromole fluorine 19 and its preparation method and application | 武汉大学 | 2017-06-16 | — | — | CN | disclosed |