Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL27361510 | 0.95 | LMNA (0.50) | LMNATSHRTDP1CES2CES1 | |
| SCHEMBL27578938 | 0.82 | TSHR (0.48) | LMNATSHRTDP1ALDH1A1AKR1B1 | |
| 1,2-Dichlorobenzene SCHEMBL27864018 | 0.81 | ALDH1A1 (0.50) | LMNATSHRTDP1CES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL9702793 | 0.81 | AKR1B1 (0.52) | LMNATSHRCES2CES1ALDH1A1 | |
| SCHEMBL28014513 | 0.81 | TSHR (0.45) | TSHRTDP1CES2CES1HSD11B1 | |
| 1,2-Dichlorobenzene SCHEMBL27488250 | 0.79 | AKR1B1 (0.50) | LMNATSHRCES2CES1ALDH1A1 | |
| Chlorobenzene SCHEMBL27453116 | 0.79 | TSHR (0.52) | LMNATSHRTDP1CES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL27549946 | 0.79 | LMNA (0.48) | LMNATSHRCES2CES1ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL27647229 | 0.79 | LMNA (0.48) | LMNATSHRCES2CES1ALDH1A1 | |
| SCHEMBL7150897 | 0.77 | CTBP2 (0.51) | ALDH1A1NPC1RAB9A |
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-104230875-A | One-step method for preparing alpha-halogenated acetophenone glycol ketal compound | UNIV HUANGSHAN | 2014-12-24 | — | — | CN | disclosed |