Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 8/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL23915376 | 0.89 | S1PR2 (0.37) | S1PR2ARLMNAHTTNPSR1 | |
| SCHEMBL23915377 | 0.88 | S1PR2 (0.37) | S1PR2ARLMNAHTTNPSR1 | |
| SCHEMBL23966554 | 0.81 | S1PR2 (0.47) | S1PR2NPSR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23914758 | 0.72 | S1PR2 (0.57) | S1PR2TSHR | |
| SCHEMBL23914760 | 0.72 | S1PR2 (0.56) | S1PR2TSHR | |
| SCHEMBL23909043 | 0.71 | S1PR2 (0.48) | S1PR2NPSR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23966811 | 0.71 | PARP1 (0.36) | ARLMNAPARP1CYP3A4CYP2C9 | |
| SCHEMBL23914741 | 0.71 | S1PR2 (0.48) | S1PR2NPSR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23909113 | 0.66 | GRM2 (0.32) | — | |
| SCHEMBL23915555 | 0.64 | — | — |
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-3649119-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2021-11-03 | — | — | EP | disclosed |