Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 6/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28484987 | 1.00 | CES2 (0.37) | CES2ALDH1A1NAAAS1PR2S1PR1 | |
| SCHEMBL28105313 | 1.00 | CES2 (0.37) | CES2ALDH1A1NAAAS1PR2S1PR1 | |
| SCHEMBL28387585 | 0.86 | CA1 (0.32) | CES2CA1CA2 | |
| SCHEMBL28627217 | 0.86 | S1PR2 (0.45) | CES2ALDH1A1NAAAS1PR2S1PR1 | |
| SCHEMBL23174985 | 0.83 | TP53 (0.38) | CES2ALDH1A1NAAAS1PR2S1PR1 | |
| SCHEMBL27742916 | 0.83 | S1PR2 (0.45) | CES2ALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL23850596 | 0.83 | S1PR2 (0.45) | CES2ALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL28718189 | 0.82 | CA1 (0.40) | CES2ALDH1A1NAAAS1PR2S1PR1 | |
| SCHEMBL12493945 | 0.81 | TP53 (0.39) | CES2ALDH1A1 | |
| SCHEMBL28038603 | 0.81 | TP53 (0.39) | CES2ALDH1A1 |
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-103717571-B | The tetracycline compound that 9-amino methyl replaces | KBP BIOSCIENCES Co.,Ltd. (CN) | 2016-01-13 | — | — | CN | disclosed |