Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL159042 | 1.00 | ALDH1A1 (0.53) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| Biphenyl SCHEMBL5425946 | 0.90 | ALDH1A1 (0.50) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| Biphenyl SCHEMBL688111 | 0.88 | ALDH1A1 (0.47) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| Biphenyl SCHEMBL8438932 | 0.87 | ALDH1A1 (0.40) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| Biphenyl SCHEMBL10768512 | 0.83 | ALDH1A1 (0.42) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| Bicarbonate SCHEMBL7025736 | 0.83 | ALDH1A1 (0.57) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| Biphenyl SCHEMBL2169497 | 0.83 | ALDH1A1 (0.57) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| Bicarbonate SCHEMBL10775900 | 0.83 | ALDH1A1 (0.57) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| Bicarbonate SCHEMBL10581815 | 0.83 | ALDH1A1 (0.57) | ALDH1A1EPHX1CES2CES1HSD11B1 | |
| SCHEMBL10784791 | 0.80 | ALDH1A1 (0.53) | ALDH1A1EPHX1CES2CES1HSD11B1 |
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-103097348-B | The manufacture method of carbonyl compound | ASAHI KASEI CHEMICALS CORP. (JP) | 2015-10-14 | — | — | CN | disclosed |