Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8696546 | 0.88 | CES2 (0.42) | CES2CES1AKR1B1POLBALDH1A1 | |
| SCHEMBL28879937 | 0.82 | POLB (0.43) | CES2CES1AKR1B1TP53POLB | |
| SCHEMBL10583765 | 0.80 | CES2 (0.41) | CES2CES1AKR1B1TP53POLB | |
| SCHEMBL595614 | 0.75 | CES1 (0.50) | CES2CES1AKR1B1TP53POLB | |
| SCHEMBL3559545 | 0.75 | CES1 (0.50) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL4804794 | 0.75 | CES2 (0.50) | CES2CES1AKR1B1TP53POLB | |
| SCHEMBL28381776 | 0.74 | CES1 (0.44) | CES2CES1AKR1B1TP53POLB | |
| SCHEMBL1096270 | 0.74 | CES1 (0.55) | CES2CES1AKR1B1POLBALDH1A1 | |
| SCHEMBL1376581 | 0.73 | CES1 (0.48) | CES2CES1AKR1B1TP53POLB | |
| SCHEMBL20534688 | 0.73 | CES1 (0.48) | CES2CES1AKR1B1TP53POLB |
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 |