Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 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 | |
|---|---|---|---|---|
| SCHEMBL29936733 | 0.82 | CNR2 (0.54) | CYP3A4HPGDALDH1A1TSHRMAPK1 | |
| SCHEMBL29936962 | 0.81 | MAPT (0.48) | CYP3A4HPGDALDH1A1TSHRMAPK1 | |
| SCHEMBL9766076 | 0.75 | TSHR (0.52) | CYP3A4HPGDALDH1A1TSHRMAPK1 | |
| SCHEMBL29936878 | 0.74 | ALDH1A1 (0.50) | HPGDALDH1A1KMT2ACYP2C9CYP1A2 | |
| SCHEMBL29936760 | 0.74 | MAPT (0.52) | HPGDALDH1A1MAPK1KMT2AMEN1 | |
| SCHEMBL25332785 | 0.73 | SLC6A3 (0.50) | ALDH1A1TSHRMAPK1KMT2AMEN1 | |
| SCHEMBL505248 | 0.73 | LMNA (0.57) | HPGDALDH1A1TSHRMAPK1KMT2A | |
| SCHEMBL30805790 | 0.73 | CYP3A4 (0.45) | HSD17B1HSD17B2CYP3A4HPGDALDH1A1 | |
| SCHEMBL27302834 | 0.73 | CYP3A4 (0.45) | HSD17B1HSD17B2CYP3A4HPGDALDH1A1 | |
| SCHEMBL522175 | 0.73 | TSHR (0.61) | CYP3A4HPGDALDH1A1TSHRMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115010600-B | Method for synthesizing polyfluoroaryl carboxylic acid compound based on aryl fluorocarbon bond carboxylation reaction | 四川大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-115010600-A | Method for synthesizing polyfluoroaryl carboxylic acid compounds based on aryl fluorocarbon bond carboxylation reaction | 四川大学 | 2022-09-06 | — | — | CN | disclosed |