Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL12513918 | 0.98 | CYP1A2 (0.33) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL12513798 | 0.98 | CYP1A2 (0.33) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL12513873 | 0.95 | CYP1A2 (0.39) | CYP1A2HTTLMNAMAPK1 | |
| SCHEMBL13463953 | 0.92 | CYP1A2 (0.37) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL13464034 | 0.91 | CYP1A2 (0.40) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL9999744 | 0.89 | CYP1A2 (0.35) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL13464012 | 0.89 | CYP1A2 (0.35) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL13463952 | 0.89 | CYP1A2 (0.35) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL12513797 | 0.89 | TLR4 (0.36) | — | |
| SCHEMBL9999747 | 0.88 | CYP1A2 (0.34) | CYP1A2PKMHTTMEN1KMT2A |
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 |