Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 3/20 | 0.60 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | DHODH | Q02127 | 1/20 | 0.55 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.54 |
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL171651 | 0.96 | CES2 (0.67) | CES2CES1MAOBSRD5A2DHODH | |
| Hydrochloric Acid SCHEMBL8491584 | 0.93 | CES2 (0.64) | CES2CES1MAOBSRD5A2DHODH | |
| Water SCHEMBL27804326 | 0.93 | CES2 (0.64) | CES2CES1MAOBSRD5A2DHODH | |
| Hydrochloric Acid SCHEMBL4376063 | 0.93 | CES2 (0.64) | CES2CES1MAOBSRD5A2DHODH | |
| Bromide SCHEMBL28812419 | 0.93 | CES2 (0.64) | CES2CES1MAOBSRD5A2DHODH | |
| SCHEMBL5429632 | 0.89 | P2RY14 (0.60) | CES2CES1MAOBSRD5A2DHODH | |
| Toluene SCHEMBL28119821 | 0.89 | MAOB (0.51) | CES2CES1MAOBSRD5A2POLB | |
| Hydrochloric Acid SCHEMBL30116623 | 0.88 | P2RY14 (0.58) | CES2CES1MAOBSRD5A2DHODH | |
| Acetophenone SCHEMBL27536585 | 0.88 | MAPT (0.53) | CES2CES1MAOBSRD5A2POLB | |
| SCHEMBL22741224 | 0.84 | CYP1A2 (0.59) | CES2CES1MAOBCYP1A1CYP1B1 |
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-104610140-A | 3-amine acylhydrazone derivative, preparation method and application of 3-amine acylhydrazone derivative | UNIV QINGDAO AGRICULTURAL | 2015-05-13 | — | — | CN | disclosed |