Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10614759 | 0.80 | PTGS2 (0.61) | MAPTKDM4ECA9KMT2APTGS2 | |
| SCHEMBL7702890 | 0.79 | AKR1B1 (0.55) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL16372690 | 0.79 | AKR1B1 (0.71) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL28480660 | 0.79 | KDM4E (0.37) | GAAMAPTKDM4ELMNAKMT2A | |
| SCHEMBL223826 | 0.78 | AKR1B1 (0.59) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL28482410 | 0.78 | TAAR1 (0.62) | GAALMNAALOX5 | |
| SCHEMBL1067240 | 0.77 | TNKS2 (0.55) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL901445 | 0.77 | PTGS2 (0.64) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL8530817 | 0.76 | EGFR (0.46) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL1999629 | 0.76 | AKR1B1 (0.52) | AKR1B1GAAMAPTKDM4ETNKS2 |
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-108440355-B | Thioether compound and synthesis method and application thereof | 浙江大学宁波理工学院 | 2020-11-27 | — | — | CN | disclosed |