Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.30 |
| ▸ | NR5A1 | Q13285 | 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 | |
|---|---|---|---|---|
| SCHEMBL10681284 | 0.95 | CYP1A2 (0.41) | CYP1A2HTTNR5A2NR5A1 | |
| SCHEMBL10680396 | 0.94 | CYP1A2 (0.40) | CYP1A2HTTNR5A2NR5A1 | |
| SCHEMBL10680258 | 0.94 | CYP1A2 (0.40) | CYP1A2HTTNR5A2NR5A1 | |
| SCHEMBL10680143 | 0.94 | CYP1A2 (0.46) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10682833 | 0.91 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL10685439 | 0.90 | CYP1A2 (0.41) | CYP1A2HTTNR5A2NR5A1 | |
| SCHEMBL10676375 | 0.89 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL10680280 | 0.89 | CYP1A2 (0.47) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10680931 | 0.88 | CYP1A2 (0.40) | CYP1A2HTTNR5A2NR5A1 | |
| SCHEMBL10681185 | 0.88 | CYP1A2 (0.40) | CYP1A2HTTNR5A2NR5A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4719032-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-01-12 | — | — | US | disclosed |