Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.62 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.62 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.62 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 7/20 | 0.57 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28014749 | 0.88 | PDK1 (0.63) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL5546903 | 0.76 | PDK1 (0.71) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL30620907 | 0.76 | SMN1; SMN2 (0.58) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL9976651 | 0.76 | SMN1; SMN2 (0.58) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL31490980 | 0.75 | PDK1 (0.69) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL8361583 | 0.74 | RAB9A (0.85) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL8970418 | 0.73 | NPC1 (1.00) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL330082 | 0.73 | NPC1 (1.00) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL9976650 | 0.73 | MEN1 (0.60) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL15461803 | 0.73 | ACHE (0.56) | PDK1PDK2PDK3PDK4NPC1 |
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-103288669-B | Atrolactic acid amide derivative and applications thereof | UNIV NANKAI | 2015-06-24 | — | — | CN | disclosed |