Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL9352059 | 0.99 | ALDH1A1 (0.36) | ALDH1A1CYP1A2GRM2 | |
| SCHEMBL9352026 | 0.96 | — | — | |
| SCHEMBL9349118 | 0.90 | — | — | |
| SCHEMBL9347981 | 0.84 | — | — | |
| SCHEMBL9347881 | 0.78 | MEN1 (0.36) | CYP1A2 | |
| SCHEMBL9503692 | 0.77 | ALDH1A1 (0.37) | ALDH1A1CYP1A2GRM2 | |
| SCHEMBL9347694 | 0.77 | MEN1 (0.36) | CYP1A2 | |
| SCHEMBL9347767 | 0.77 | MAPT (0.37) | CYP1A2GRM2 | |
| SCHEMBL9347753 | 0.77 | MAPT (0.37) | CYP1A2GRM2 | |
| SCHEMBL9763985 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP1A2GRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5318721-A | Nematic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-06-07 | — | — | US | disclosed |
| US-4871469-A | TRIFLUOROTOLUENE DERIVATIVES | BESCRANKTER HAFTUNG (DE) | 1989-10-03 | — | — | US | disclosed |