Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 4/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26095202 | 1.00 | LMNA (0.40) | LMNAHTTPARP1PTPN11TTR | |
| SCHEMBL26095257 | 0.82 | TTR (0.59) | LMNATTRTPMTSMN1; SMN2CA12 | |
| SCHEMBL30413369 | 0.82 | TTR (0.59) | LMNATTRTPMTSMN1; SMN2CA12 | |
| SCHEMBL30311441 | 0.79 | HSD17B10 (0.48) | LMNAHTTPARP1PTPN11TTR | |
| SCHEMBL4104322 | 0.76 | TTR (0.62) | LMNAHTTPARP1PTPN11TTR | |
| SCHEMBL26091032 | 0.76 | LMNA (0.58) | LMNAHTTPTPN11TPMTSMN1; SMN2 | |
| SCHEMBL3130004 | 0.73 | LMNA (0.47) | LMNAHTTPARP1TTRBCAT2 | |
| SCHEMBL811037 | 0.72 | LMNA (0.46) | LMNAHTTPARP1TTRBCAT2 | |
| SCHEMBL30325618 | 0.72 | HSD11B1 (0.50) | LMNAHTTPARP1TTRBCAT2 | |
| SCHEMBL1786932 | 0.71 | LCK (0.53) | LMNAPARP1BCAT2LCKSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4419532-A1 | FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2024-08-28 | — | — | EP | disclosed |
| WO-2023066825-A1 | FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-27 | — | — | WO | disclosed |