Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ACSL1 | P33121 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19360467 | 0.83 | RORC (0.54) | CYP2D6MEN1KMT2ATDP1RORC | |
| SCHEMBL28197165 | 0.82 | IDH1 (0.48) | ACSL1MEN1KMT2AIDH1 | |
| SCHEMBL16441004 | 0.80 | KDM4E (0.46) | KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL19360624 | 0.80 | L3MBTL1 (0.41) | CA12CA1CA2CA3TYR | |
| SCHEMBL19360344 | 0.76 | RORC (0.67) | RORC | |
| SCHEMBL20465147 | 0.74 | SRD5A2 (0.48) | KDM4EALDH1A1SRD5A2MEN1KMT2A | |
| SCHEMBL10988154 | 0.73 | OXER1 (0.49) | ALDH1A1MEN1KMT2A | |
| SCHEMBL18440704 | 0.73 | RORC (0.53) | KDM4EALDH1A1MEN1KMT2ARORC | |
| SCHEMBL14745668 | 0.72 | HCAR3 (0.40) | KDM4EALDH1A1SRD5A2 | |
| SCHEMBL30622485 | 0.71 | KDM4E (0.55) | KDM4EALDH1A1CYP2D6MEN1KMT2A |
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-2017157332-A1 | AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF | 江苏恒瑞医药股份有限公司 | 2017-09-21 | — | — | WO | disclosed |