Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 13/20 | 0.42 |
| ▸ | CDK7 | P50613 | 1/20 | 0.31 |
| ▸ | CCNH | P51946 | 1/20 | 0.31 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21940282 | 0.89 | S1PR2 (0.41) | S1PR2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL21940276 | 0.82 | S1PR2 (0.40) | S1PR2 | |
| SCHEMBL20606887 | 0.81 | S1PR2 (0.50) | S1PR2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL21941074 | 0.81 | S1PR2 (0.39) | S1PR2 | |
| SCHEMBL21940480 | 0.81 | S1PR2 (0.41) | S1PR2 | |
| SCHEMBL21940269 | 0.73 | S1PR2 (0.34) | S1PR2HTT | |
| SCHEMBL6990551 | 0.71 | GAA (0.38) | — | |
| SCHEMBL21940484 | 0.71 | CYP2C19 (0.43) | S1PR2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL21940799 | 0.70 | S1PR2 (0.44) | S1PR2CYP1A2 | |
| SCHEMBL20606814 | 0.68 | S1PR2 (0.42) | S1PR2CYP1A2CYP2C9CYP2C19HTT |
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-3423445-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2020-04-01 | — | — | EP | disclosed |