Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | LSS | P48449 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL12513918 | 1.00 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL12513435 | 0.98 | CYP1A2 (0.34) | CYP1A2MEN1HTTKMT2APKM | |
| SCHEMBL12513873 | 0.94 | CYP1A2 (0.39) | CYP1A2HTT | |
| SCHEMBL13463953 | 0.91 | CYP1A2 (0.37) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL13464034 | 0.89 | CYP1A2 (0.40) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL13463952 | 0.88 | CYP1A2 (0.35) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL13464012 | 0.88 | CYP1A2 (0.35) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL9999744 | 0.88 | CYP1A2 (0.35) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL12513797 | 0.88 | TLR4 (0.36) | — | |
| SCHEMBL9999747 | 0.87 | CYP1A2 (0.34) | CYP1A2MEN1HTTKMT2APKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758966-B1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| EP-1756247-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2008-12-03 | — | — | EP | disclosed |