Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.41 |
| ▸ | C3AR1 | Q16581 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30706206 | 0.80 | TBXAS1 (0.47) | HTTALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24636728 | 0.80 | TBXAS1 (0.47) | HTTALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15615858 | 0.74 | SMN1; SMN2 (0.39) | HTTALDH1A1CYP2C19TSHRKDM4E | |
| SCHEMBL31556473 | 0.72 | TBXAS1 (0.58) | ALDH1A1CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL23919081 | 0.71 | — | — | |
| SCHEMBL23252983 | 0.71 | ACE (0.31) | — | |
| SCHEMBL30655878 | 0.71 | CYP19A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL21116928 | 0.70 | TSHR (0.41) | HTTALDH1A1TSHRKDM4ELMNA | |
| SCHEMBL18760910 | 0.70 | PSMB8 (0.32) | — | |
| SCHEMBL64891 | 0.70 | TBXAS1 (0.59) | ALDH1A1CYP3A4CYP2C9CYP2C19TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022251612-A1 | 2,6-DICHLOROPHENYL ESTER COMPOUNDS AND USE THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2022-12-01 | — | — | WO | disclosed |