Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17292999 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HSP90AA1CXCR5APLNRCCR6 | |
| SCHEMBL16047686 | 0.77 | ALDH1A1 (0.57) | ALDH1A1MEN1PKMKMT2AMAPT | |
| SCHEMBL29081700 | 0.75 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL30114204 | 0.75 | ALDH1A1 (0.51) | ALDH1A1MAPTNPSR1POLBIDO1 | |
| SCHEMBL28543946 | 0.72 | ALDH1A1 (0.58) | ALDH1A1HSP90AA1CXCR5APLNRCCR6 | |
| SCHEMBL8346679 | 0.72 | MAPT (0.53) | PDE4APDE4CPDE4DHSP90AA1CXCR5 | |
| SCHEMBL26878892 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HSP90AA1CXCR5APLNRCCR6 | |
| SCHEMBL28908016 | 0.72 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL16044717 | 0.72 | ALDH1A1 (0.58) | ALDH1A1MAPTNPSR1POLB | |
| SCHEMBL25299377 | 0.71 | ALDH1A1 (0.60) | ALDH1A1HSP90AA1CXCR5APLNRCCR6 |
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-116670140-A | Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-116171154-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-05-26 | — | — | CN | disclosed |