Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 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 | |
|---|---|---|---|---|
| SCHEMBL8971054 | 0.90 | HSD11B1 (0.37) | ALDH1A1HSD11B1 | |
| SCHEMBL8041724 | 0.77 | CES2 (0.44) | ALDH1A1SMN1; SMN2CES2CES1KMT2A | |
| SCHEMBL14676392 | 0.74 | CES2 (0.46) | ALDH1A1SMN1; SMN2CES2CES1HSD11B1 | |
| SCHEMBL8048638 | 0.74 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2CES2CES1KMT2A | |
| SCHEMBL14323462 | 0.73 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2CES2CES1HSD11B1 | |
| SCHEMBL15443062 | 0.72 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KMT2AMEN1HTT | |
| SCHEMBL9806822 | 0.72 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KMT2AMEN1HTT | |
| SCHEMBL11591761 | 0.72 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KMT2AMEN1HTT | |
| SCHEMBL18888 | 0.72 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KMT2AMEN1HTT | |
| SCHEMBL11807272 | 0.72 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KMT2AMEN1HTT |
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-105474452-B | Nonaqueous electrolyte for battery and lithium secondary battery | 三井化学株式会社 | 2018-07-27 | — | — | CN | disclosed |