Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL91769 | 0.90 | MAOB (0.32) | — | |
| SCHEMBL91905 | 0.83 | ESR1 (0.33) | ABL1 | |
| SCHEMBL91788 | 0.82 | KMT2A (0.40) | CYP1A2 | |
| SCHEMBL91778 | 0.82 | — | — | |
| SCHEMBL91738 | 0.81 | HSD11B1 (0.37) | — | |
| SCHEMBL18800276 | 0.80 | CYP2A6 (0.41) | CYP1A2CYP2A6 | |
| SCHEMBL91737 | 0.79 | HSD11B1 (0.33) | — | |
| SCHEMBL91772 | 0.79 | — | — | |
| SCHEMBL91816 | 0.77 | KMT2A (0.39) | CYP1A2 | |
| SCHEMBL91755 | 0.77 | — | — |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |