Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | CFTR | P13569 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30555304 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HTTGAACYP2C19POLB | |
| SCHEMBL29662411 | 0.77 | AR (0.36) | ALDH1A1HTTCYP2C19LMNA | |
| SCHEMBL29662291 | 0.75 | AR (0.38) | ALDH1A1HTTCYP2C19POLBLMNA | |
| SCHEMBL3594252 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HTTGAAMEN1KMT2A | |
| SCHEMBL30555227 | 0.72 | ALDH1A1 (0.44) | ALDH1A1HTTGAACYP2C19MEN1 | |
| SCHEMBL30555255 | 0.71 | ALDH1A1 (0.47) | ALDH1A1HTTGAACYP2C19MEN1 | |
| SCHEMBL30555237 | 0.70 | ALDH1A1 (0.47) | ALDH1A1HTTGAACYP2C19MEN1 | |
| SCHEMBL19817179 | 0.70 | ALDH1A1 (0.63) | ALDH1A1HTTGAACYP2C19MEN1 | |
| SCHEMBL19817181 | 0.70 | ALDH1A1 (0.63) | ALDH1A1HTTGAACYP2C19MEN1 | |
| SCHEMBL19823971 | 0.70 | ALDH1A1 (0.66) | ALDH1A1HTTGAAMEN1KMT2A |
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-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 |