Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.44 |
| ▸ | TRPV3 | Q8NET8 | 3/20 | 0.39 |
| ▸ | IL1B | P01584 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30041007 | 0.76 | NLRP3 (0.48) | NLRP3TRPV3KDM4EUSP2ALDH1A1 | |
| SCHEMBL30042431 | 0.76 | NLRP3 (0.54) | NLRP3TRPV3IL1BCYP1A2KCNH2 | |
| SCHEMBL32682445 | 0.74 | NLRP3 (0.47) | NLRP3TRPV3KDM4EALDH1A1HPGD | |
| SCHEMBL30041215 | 0.73 | NLRP3 (0.48) | NLRP3TRPV3IL1BKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL32682444 | 0.73 | NLRP3 (0.47) | NLRP3TRPV3IL1BKDM4EALDH1A1 | |
| SCHEMBL7449680 | 0.72 | CFTR (0.46) | CYP1A2KDM4EUSP2ALDH1A1HPGD | |
| SCHEMBL30042437 | 0.71 | NLRP3 (0.45) | NLRP3TRPV3IL1BCYP1A2TSHR | |
| SCHEMBL30129718 | 0.70 | NLRP3 (0.42) | NLRP3TRPV3IL1BSCN9AKCNH2 | |
| SCHEMBL7444613 | 0.70 | SMN1; SMN2 (0.43) | KDM4EALDH1A1HPGDCFTR | |
| SCHEMBL30041472 | 0.70 | NLRP3 (0.64) | NLRP3IL1BKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4129986-A1 | SUBSTITUTED PYRIDAZINE COMPOUND | Astellas Pharma Inc. (JP) | 2023-02-08 | — | — | EP | disclosed |