Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31612947 | 0.84 | NPSR1 (0.44) | KCNN4GAACYP3A4MAPTCYP2C9 | |
| SCHEMBL21539534 | 0.81 | TSHR (0.45) | KCNN4GAACYP3A4MAPTCYP2C9 | |
| SCHEMBL1239033 | 0.81 | PLCG1 (0.49) | KCNN4GAACYP3A4MAPTCYP2C9 | |
| SCHEMBL1477878 | 0.81 | POLB (0.46) | MAPTCYP2C19NPSR1NPC1SMN1; SMN2 | |
| SCHEMBL21659599 | 0.80 | NPSR1 (0.44) | KCNN4GAACYP3A4MAPTCYP2C9 | |
| SCHEMBL21539533 | 0.80 | ATM (0.48) | KCNN4GAAGLAPDK1PDK2 | |
| SCHEMBL15602074 | 0.79 | KCNN4 (0.44) | KCNN4GAACYP3A4MAPTCYP2C9 | |
| SCHEMBL30910192 | 0.78 | GAA (0.47) | KCNN4GAAALOX12PDK1PDK2 | |
| Hydrochloric Acid SCHEMBL16059704 | 0.77 | KCNN4 (0.42) | KCNN4GAACYP3A4MAPTCYP2C9 | |
| SCHEMBL28846137 | 0.77 | KCNN4 (0.44) | KCNN4GAACYP2C19NPSR1SRC |
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-115246762-A | Preparation method of 2,4,5-trifluorophenylacetic acid | 上海朴颐化学科技有限公司 | 2022-10-28 | — | — | CN | disclosed |