Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13673196 | 0.80 | CYP3A4 (0.43) | TAAR1CYP1A2ALDH1A1CYP3A4RPS6KB1 | |
| SCHEMBL13863759 | 0.79 | APLNR (0.39) | CYP1A2ALDH1A1CYP3A4RPS6KB1CA12 | |
| SCHEMBL13863921 | 0.77 | ALDH1A1 (0.46) | TAAR1CYP1A2ALDH1A1CYP3A4CA12 | |
| SCHEMBL13021396 | 0.75 | TRPV4 (0.40) | CYP1A2ALDH1A1CYP3A4RPS6KB1 | |
| SCHEMBL13863750 | 0.74 | CALM1 (0.41) | CYP1A2ALDH1A1CYP3A4RPS6KB1CA12 | |
| SCHEMBL13863877 | 0.73 | — | — | |
| SCHEMBL13863807 | 0.73 | RARA (0.38) | CYP1A2CYP3A4 | |
| SCHEMBL13673375 | 0.72 | RPS6KB1 (0.42) | CYP1A2ALDH1A1CYP3A4RPS6KB1CA12 | |
| SCHEMBL13863901 | 0.72 | L3MBTL1 (0.35) | CYP1A2LMNA | |
| SCHEMBL13863902 | 0.71 | RARB (0.36) | CYP1A2 |
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 |