Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL179253 | 0.93 | ACHE (0.48) | AOC3HDAC4HDAC8IDO1TDO2 | |
| Ethylene SCHEMBL27799285 | 0.89 | ACHE (0.44) | AOC3HDAC4HDAC8IDO1TDO2 | |
| SCHEMBL27815591 | 0.82 | HDAC4 (0.43) | HDAC4HDAC8IDO1TDO2HDAC7 | |
| SCHEMBL13119197 | 0.81 | TAAR1 (0.53) | HDAC4HDAC8ACHEKDM4EMDM4 | |
| SCHEMBL17112350 | 0.81 | AOC3 (0.56) | AOC3HDAC4IDO1TDO2HDAC7 | |
| SCHEMBL15854161 | 0.81 | AOC3 (0.56) | AOC3HDAC4IDO1TDO2HDAC7 | |
| SCHEMBL19317577 | 0.80 | PTGS1 (0.47) | HDAC4HDAC8KDM4EHPGD | |
| SCHEMBL792296 | 0.79 | ACHE (0.48) | AOC3HDAC4IDO1TDO2HDAC7 | |
| SCHEMBL29148827 | 0.78 | AOC3 (0.49) | AOC3HDAC4IDO1TDO2HDAC7 | |
| SCHEMBL792133 | 0.78 | IDO1 (0.56) | AOC3HDAC4IDO1TDO2HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103384663-B | Synthesis of intermediates for the preparation of anacetrapib and derivatives thereof | LEK PHARMACEUTICALS D.D. (SI) | 2016-04-20 | — | — | CN | disclosed |