Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 5/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8168954 | 0.86 | MAPK14 (0.46) | MAPK14CES2CES1CYP1A2CYP3A4 | |
| SCHEMBL8178069 | 0.85 | MAPK14 (0.52) | MAPK14CES2CES1CYP1A2CYP3A4 | |
| SCHEMBL8182920 | 0.84 | MAPK14 (0.56) | MAPK14CES2CES1HTTRAB9A | |
| SCHEMBL8175818 | 0.81 | HTT (0.59) | MAPK14CES2CES1CYP1A2CYP3A4 | |
| SCHEMBL13291390 | 0.80 | CES2 (0.74) | MAPK14CES2CES1HTTRAB9A | |
| SCHEMBL8179206 | 0.80 | MAPK14 (0.54) | MAPK14CES2CES1CYP3A4RAB9A | |
| SCHEMBL8176832 | 0.80 | MAPK14 (0.58) | MAPK14CES2CES1RAB9ALMNA | |
| SCHEMBL10657662 | 0.80 | MAPK14 (0.48) | MAPK14CES2CES1CYP1A2CYP3A4 | |
| SCHEMBL27709578 | 0.79 | NPC1 (0.51) | MAPK14CES2CES1CYP1A2CYP3A4 | |
| SCHEMBL8175975 | 0.79 | MAPT (0.56) | MAPK14CES2CES1CYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| EP-0778264-B1 | Tertiary amines having antimycotic and cholesterol lowering activity | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | disclosed |
| US-6034275-A | FUGICIDES; ATICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0778264-A1 | Tertiary amines having antimycotic and cholesterol lowering activity | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-11 | — | — | EP | disclosed |