Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 10/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 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 | |
|---|---|---|---|---|
| SCHEMBL20102297 | 0.84 | CYP2E1 (0.45) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL23092877 | 0.80 | CA1 (0.45) | ERN1CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL23108234 | 0.76 | ERN1 (0.44) | ERN1TLR2TLR1TLR6CASP6 | |
| SCHEMBL23092919 | 0.75 | ERN1 (0.41) | ERN1TLR2TLR1TLR6CA1 | |
| SCHEMBL20102296 | 0.75 | HCRTR1 (0.43) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL13564332 | 0.74 | CASP6 (0.48) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL31152506 | 0.73 | ERN1 (0.67) | ERN1TLR2TLR1TLR6CA1 | |
| SCHEMBL16439936 | 0.73 | ERN1 (0.67) | ERN1TLR2TLR1TLR6CA1 | |
| SCHEMBL19386588 | 0.73 | CYP2C9 (0.50) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL7850495 | 0.72 | ERN1 (0.49) | ERN1TLR2TLR1TLR6TRIM24 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021050688-A1 | COMPOUNDS AND USES THEREOF | X-CHEM, INC. (US) | 2021-03-18 | — | — | WO | disclosed |
| WO-2021050688-A1 | COMPOUNDS AND USES THEREOF | X-CHEM, INC. (US) | 2021-03-18 | — | — | WO | disclosed |