Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | VCP | P55072 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL30610236 | 0.82 | CES1 (0.55) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL28070688 | 0.81 | CES1 (0.53) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL16158156 | 0.79 | CA2 (0.55) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL11273437 | 0.79 | CES1 (0.52) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL1669227 | 0.76 | CES1 (0.57) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL14002002 | 0.76 | CES1 (0.52) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL6202666 | 0.75 | CES1 (0.53) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL28770830 | 0.74 | NPC1 (0.46) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL12260644 | 0.73 | CES1 (0.53) | CES1CES2NPC1RAB9AMEN1 | |
| SCHEMBL727083 | 0.73 | CA2 (0.55) | CES1CES2NPC1RAB9AMEN1 |
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-105669406-A | Method for preparation of 2-hydroxy-2,2-diphenyl-1-(p-methylphenyl)ethanone | 双键化工（上海）有限公司 | 2016-06-15 | — | — | CN | disclosed |