Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 5/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 4/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23850596 | 0.94 | S1PR2 (0.45) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL27742916 | 0.94 | S1PR2 (0.45) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL28718189 | 0.94 | CA1 (0.40) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL29191930 | 0.92 | S1PR2 (0.42) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL22230486 | 0.86 | S1PR2 (0.42) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL28105313 | 0.86 | CES2 (0.37) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL28053016 | 0.86 | CES2 (0.37) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL28484987 | 0.86 | CES2 (0.37) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL27860089 | 0.84 | S1PR2 (0.40) | S1PR2S1PR1S1PR3S1PR4CES2 | |
| SCHEMBL4361492 | 0.83 | CES2 (0.58) | CES2FAAHCES1NAAAMEN1 |
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-109475531-B | Heterocyclic inhibitors of PTPN11 | 得克萨斯州立大学董事会 | 2021-08-17 | — | — | CN | disclosed |