Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 15/20 | 1.00 |
| ▸ | PDK2 | Q15119 | 15/20 | 1.00 |
| ▸ | PDK3 | Q15120 | 15/20 | 1.00 |
| ▸ | PDK4 | Q16654 | 15/20 | 1.00 |
| ▸ | ABCC9 | O60706 | 7/20 | 0.77 |
| ▸ | ABCC8 | Q09428 | 7/20 | 0.77 |
| ▸ | KCNJ11 | Q14654 | 7/20 | 0.77 |
| ▸ | KCNJ8 | Q15842 | 7/20 | 0.77 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL6359557 | 1.00 | PDK1 (1.00) | PDK1PDK2PDK3PDK4ABCC9 | |
| Zd-6169 SCHEMBL2123811 | 0.87 | ABCC9 (1.00) | PDK1PDK2PDK3PDK4ABCC9 | |
| Zd-6169 SCHEMBL4261046 | 0.87 | ABCC9 (1.00) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL2128828 | 0.85 | ABCC9 (1.00) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL5317709 | 0.84 | PDK1 (0.75) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL8489691 | 0.84 | ABCC9 (0.74) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL9709058 | 0.83 | PDK1 (0.71) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL16212234 | 0.82 | PDK1 (0.70) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL8867579 | 0.81 | PDK1 (0.71) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL3129785 | 0.80 | PDK1 (0.67) | PDK1PDK2PDK3PDK4ABCC9 |
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-103951584-B | Derivative of 3-chloro-N-phenyl-4-(the fluoro-2-methyl of 3,3,3-tri--2-hydroxypropanamide base) benzamide and preparation method thereof and application | TSINGHUA UNIVERSITY (CN) | 2016-02-10 | — | — | CN | disclosed |