Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.54 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.54 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MASP2 | O00187 | 1/20 | 0.50 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14906959 | 0.86 | MASP2 (0.67) | CYP2C19POLBMASP2KDM4EABCC1 | |
| SCHEMBL505353 | 0.83 | CYP2C19 (0.69) | PDK1PDK2PDK3PDK4CNR2 | |
| SCHEMBL6857308 | 0.83 | NPC1 (0.57) | PDK1PDK2PDK3PDK4CNR2 | |
| SCHEMBL29808973 | 0.83 | CYP2C19 (0.69) | PDK1PDK2PDK3PDK4CNR2 | |
| SCHEMBL10697985 | 0.82 | CTSD (0.49) | LMNACYP2C19POLBMASP2KDM4E | |
| SCHEMBL27644581 | 0.82 | PDK1 (0.56) | PDK1PDK2PDK3PDK4CNR2 | |
| SCHEMBL2837597 | 0.82 | POLB (0.56) | PDK1PDK2PDK3PDK4CNR2 | |
| SCHEMBL2943260 | 0.82 | PDK1 (0.56) | PDK1PDK2PDK3PDK4CNR2 | |
| SCHEMBL11674075 | 0.80 | GAA (0.62) | LMNACYP2C19TAS2R38KDM4ENPC1 | |
| SCHEMBL11854131 | 0.80 | TAS2R38 (0.61) | LMNATAS2R38SMN1; SMN2KMT2AALDH1A1 |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |