Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PTAFR | P25105 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | ALB | P02768 | 3/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP7 | P09237 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21625039 | 0.87 | CYP3A4 (0.52) | FOLH1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21625040 | 0.87 | CYP3A4 (0.52) | FOLH1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31258254 | 0.85 | CYP3A4 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| SCHEMBL8235888 | 0.85 | CYP3A4 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| SCHEMBL2495367 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24636604 | 0.81 | TBXAS1 (0.70) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| SCHEMBL8086170 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8422210 | 0.80 | HPGD (0.63) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR | |
| SCHEMBL6035865 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9579533 | 0.78 | CYP3A4 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19PTAFR |
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 |