Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13673375 | 0.80 | RPS6KB1 (0.42) | CYP3A4CYP1A2ALDH1A1RPS6KB1CA12 | |
| SCHEMBL91820 | 0.80 | TAAR1 (0.44) | CYP3A4CYP1A2ALDH1A1CNR2RPS6KB1 | |
| SCHEMBL8256668 | 0.79 | TAAR1 (0.45) | CYP3A4CYP1A2ALDH1A1CA12CA1 | |
| SCHEMBL13021396 | 0.79 | TRPV4 (0.40) | CYP3A4CYP1A2ALDH1A1RPS6KB1CYP2C19 | |
| SCHEMBL8236956 | 0.79 | ALDH1A1 (0.53) | CYP3A4CYP1A2ALDH1A1CA12CA1 | |
| SCHEMBL1047654 | 0.76 | ACHE (0.50) | CYP3A4CYP1A2ALDH1A1CNR2CA12 | |
| Difucol Hexamethyl Ether SCHEMBL505203 | 0.73 | CYP1A2 (0.60) | CYP3A4CYP1A2ALDH1A1CA12CA1 | |
| SCHEMBL13863759 | 0.73 | APLNR (0.39) | CYP3A4CYP1A2ALDH1A1RPS6KB1CA12 | |
| SCHEMBL17775114 | 0.72 | NPC1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30753870 | 0.72 | ALDH1A1 (0.46) | CYP3A4CYP1A2ALDH1A1RPS6KB1CA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1658351-B1 | MESOGENIC COMPOUNDS, MEDIUM FOR ELECTRO-OPTICAL DISPLAYS AND ELECTRO-OPTICAL DISPLAY | MERCK PATENT GMBH (DE) | 2009-10-28 | — | — | EP | disclosed |