Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20680906 | 1.00 | ERN1 (0.40) | ERN1ALDH1A1HPGDSMN1; SMN2CDK1 | |
| SCHEMBL2776082 | 0.87 | ERN1 (0.43) | ERN1ALDH1A1HPGDSMN1; SMN2CDK1 | |
| SCHEMBL20692171 | 0.84 | ERN1 (0.40) | ERN1ALDH1A1HPGDSMN1; SMN2ESR1 | |
| SCHEMBL25067050 | 0.82 | PDIA6 (0.44) | ERN1ALDH1A1HPGDSMN1; SMN2CDK1 | |
| SCHEMBL21962335 | 0.82 | CNR2 (0.50) | ALDH1A1HPGDSMN1; SMN2PDK2 | |
| SCHEMBL6514562 | 0.81 | CA2 (0.46) | ALDH1A1PKMCA2NEU3PTGS1 | |
| SCHEMBL2777527 | 0.80 | NEU3 (0.57) | SMN1; SMN2PKMCA2NEU3PTGS2 | |
| SCHEMBL29787231 | 0.80 | NEU3 (0.57) | SMN1; SMN2PKMCA2NEU3PTGS2 | |
| SCHEMBL355413 | 0.78 | ESR1 (0.60) | ERN1ALDH1A1HPGDSMN1; SMN2ESR1 | |
| SCHEMBL11560883 | 0.77 | CA1 (0.55) | SMN1; SMN2CA2CA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117209447-A | Compounds and compositions for treating disorders associated with NLRP activity | 诺华股份有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-117143042-A | Compounds and compositions for treating disorders associated with NLRP activity | 诺华股份有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-111094243-B | Compounds and compositions for treating disorders associated with NLRP activity | 诺华股份有限公司 | 2023-09-05 | — | — | CN | disclosed |