Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL21734984 | 0.90 | S1PR1 (0.31) | S1PR1 | |
| SCHEMBL21734980 | 0.90 | S1PR1 (0.31) | S1PR1CA2 | |
| SCHEMBL22628715 | 0.88 | S1PR1 (0.34) | S1PR1NR1H4PPARACA2ESR1 | |
| SCHEMBL22628845 | 0.83 | S1PR1 (0.32) | S1PR1NR1H4PPARA | |
| SCHEMBL21735676 | 0.80 | CA2 (0.33) | S1PR1NR1H4PPARACA2 | |
| SCHEMBL22629930 | 0.80 | S1PR1 (0.32) | S1PR1PPARA | |
| SCHEMBL22629863 | 0.79 | NR1H4 (0.38) | NR1H4 | |
| SCHEMBL21735763 | 0.78 | CA2 (0.32) | S1PR1NR1H4CA2 | |
| SCHEMBL21735531 | 0.78 | FGFR1 (0.32) | S1PR1NR1H4CA2 | |
| SCHEMBL22628832 | 0.78 | S1PR1 (0.30) | S1PR1PPARACA2 |
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-3583091-B1 | HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |