Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 6/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL1422218 | 0.91 | CETP (0.43) | CETPALDH1A1HCAR2MEN1KMT2A | |
| SCHEMBL1421573 | 0.84 | CETP (0.45) | CETPALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL2917189 | 0.81 | CYP3A4 (0.50) | CETPATMALDH1A1TSHRCYP3A4 | |
| SCHEMBL28630718 | 0.81 | CYP4F2 (0.46) | CETPATMALDH1A1HCAR2MEN1 | |
| SCHEMBL2203045 | 0.80 | CETP (0.47) | CETP | |
| SCHEMBL1421653 | 0.79 | CETP (0.49) | CETPALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL17878535 | 0.78 | ALDH1A1 (0.42) | ATMALDH1A1HCAR2TSHRHPGD | |
| SCHEMBL12999536 | 0.76 | CYP2C19 (0.47) | ATMALDH1A1HCAR2MEN1KMT2A | |
| SCHEMBL1421937 | 0.76 | CETP (0.44) | CETP | |
| SCHEMBL29580208 | 0.76 | CYP3A4 (0.36) | ATMALDH1A1HCAR2TSHRCYP3A4 |
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-2297081-A1 | 1-(2-ETHYL-BUTYL) -CYCLOHEXANECARBOXYLIC ACID ESTER AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY ACTIVE AMIDES | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009153181-A1 | 1-(2-ETHYL-BUTYL) -CYCLOHEXANECARBOXYLIC ACID ESTER AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY ACTIVE AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |