Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.47 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16241694 | 0.81 | AKR1C3 (0.57) | CSNK2A2CSNK2BCSNK2A1KDM4EGAA | |
| SCHEMBL16241693 | 0.81 | AKR1C3 (0.57) | CSNK2A2CSNK2BCSNK2A1KDM4EGAA | |
| SCHEMBL16610454 | 0.77 | ITGB2 (0.42) | KDM4EGAATHRBTHRAHDAC3 | |
| SCHEMBL16610337 | 0.76 | TRPV1 (0.46) | KDM4EHDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL16610338 | 0.75 | KIF11 (0.40) | AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL16048499 | 0.74 | KDM4E (0.61) | CSNK2A2CSNK2BCSNK2A1KDM4EGAA | |
| SCHEMBL16048498 | 0.74 | KDM4E (0.61) | CSNK2A2CSNK2BCSNK2A1KDM4EGAA | |
| SCHEMBL3917700 | 0.73 | KDM4E (0.70) | EIF2AK2CSNK2A2CSNK2BCSNK2A1KDM4E | |
| SCHEMBL3917704 | 0.73 | KDM4E (0.70) | EIF2AK2CSNK2A2CSNK2BCSNK2A1KDM4E | |
| SCHEMBL692664 | 0.72 | KDM4E (0.50) | CSNK2A2CSNK2BCSNK2A1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015043522-A1 | TRIFLUOROMETHYL-CONTAINING AMIDE ALKALOID, MANUFACTURING METHOD AND PHARMACEUTICAL USE THEREOF | 天士力制药集团股份有限公司 | 2015-04-02 | — | — | WO | disclosed |