Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.59 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.59 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.59 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25068274 | 0.89 | PKM (0.47) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL18654098 | 0.83 | PDK1 (0.63) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL9611268 | 0.83 | PDK1 (0.63) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL23481547 | 0.83 | PDK1 (0.63) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL19502933 | 0.82 | SMYD3 (0.44) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL14654898 | 0.82 | EPHX1 (0.50) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL9498299 | 0.82 | EPHX2 (0.54) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL14654944 | 0.82 | EPHX1 (0.50) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL9611267 | 0.80 | ALDH1A1 (0.61) | PDK1PDK2PDK3PDK4EPHX1 | |
| SCHEMBL8179027 | 0.80 | PDK1 (0.40) | PDK1PDK2PDK3PDK4EPHX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110248939-B | Tyrosine amide derivatives as RHO-kinase inhibitors | 奇斯药制品公司 | 2022-05-17 | — | — | CN | disclosed |
| WO-2018025247-A1 | C-3 NOVEL TRITERPENONE WITH C-28 DIAMIDE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2018-02-08 | — | — | WO | disclosed |
| WO-2012170827-A2 | PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS | CYLENE PHARMACEUTICALS, INC. (US) | 2012-12-13 | — | — | WO | disclosed |