Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL91837 | 0.88 | FFAR4 (0.39) | PTGS1PTGS2L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL13863875 | 0.83 | PTGS2 (0.33) | PTGS1PTGS2L3MBTL1ALDH1A1FGFR2 | |
| SCHEMBL30357935 | 0.75 | L3MBTL1 (0.53) | PTGS1PTGS2L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL13863901 | 0.73 | L3MBTL1 (0.35) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL13863873 | 0.72 | FFAR4 (0.32) | ALDH1A1POLBKDM4EMEN1MAPT | |
| SCHEMBL10097922 | 0.71 | PTGS1 (0.38) | PTGS1PTGS2L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL13863807 | 0.71 | RARA (0.38) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL13863877 | 0.71 | — | — | |
| SCHEMBL91820 | 0.70 | TAAR1 (0.44) | CYP1A2ALDH1A1 | |
| SCHEMBL13863811 | 0.69 | PLA2G2A (0.39) | — |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7531106-B2 | Mesogenic compounds, medium for electro-optical displays and electro-optical display | MERCK PATENT GMBH (DE) | 2009-05-12 | — | — | US | disclosed |